# # ChangeLog for / # # Generated by Trac 1.6 # May 23, 2025, 4:37:36 PM Thu, 02 Mar 2017 07:35:57 GMT Frederik Heber [860145] * ThirdParty/mpqc_open/.gitignore (added) * ThirdParty/mpqc_open/CHANGES (added) * ThirdParty/mpqc_open/CITATION (added) * ThirdParty/mpqc_open/COPYING (added) * ThirdParty/mpqc_open/COPYING.LIB (added) * ThirdParty/mpqc_open/LICENSE (added) * ThirdParty/mpqc_open/Makefile (added) * ThirdParty/mpqc_open/README (added) * ThirdParty/mpqc_open/aclocal.m4 (added) * ThirdParty/mpqc_open/bin/Makefile (added) * ThirdParty/mpqc_open/bin/class2tex (added) * ThirdParty/mpqc_open/bin/config.guess (added) * ThirdParty/mpqc_open/bin/config.sub (added) * ThirdParty/mpqc_open/bin/convertbasis.pl (added) * ThirdParty/mpqc_open/bin/getnwbas.pl (added) * ThirdParty/mpqc_open/bin/incinstall (added) * ThirdParty/mpqc_open/bin/install-sh (added) * ThirdParty/mpqc_open/bin/listlibs.pl (added) * ThirdParty/mpqc_open/bin/ltmain.sh (added) * ThirdParty/mpqc_open/bin/mkf77sym.pl.in 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ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_1clkskmlyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_1clksmpwpw91.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_1clkspbe.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_1clkspw91.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_1clksspz81.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_1clkssvwn1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_1clkssvwn1rpa.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_1clkssvwn2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_1clkssvwn3.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_1clkssvwn4.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_1clkssvwn5.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_1clksxalpha.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_1clscf.in (added) * 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ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_hsosscf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_mp2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_mp2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_qnewtopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_qnewtopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/ckpt_uksxalpha.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/energy.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ckpt/gradient.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/clscf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/dft.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/h2o.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/h2ofrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/h2omp2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/hsosscf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/input/hfch2opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/input/hfh2ofreq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/input/hfh2oopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/input/ksh2o.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/input/ksh2oco.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/input/mp2h2o.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/input/mp2r12ah2o.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/input/mp2r12aph2o.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/input/rhfch2opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/input/rksch2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/input/uhfch2opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/input/uksch2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/input/zapt2ch2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/makeccain.pl.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/makein.pl (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2mem.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2mem.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2mem_auto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2mem_auto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2mem_c1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2mem_c1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2mem_dyn.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2mem_dyn.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2mem_mp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2mem_mp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2r12_c6h6_multipass.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2r12_c6h6_multipass.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_dyn.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_dyn.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_multipass.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_multipass.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_posix.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_posix.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_tz.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_tz.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2v1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2v1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2v2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2v2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2v2_mp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2v2_mp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2v2lb.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_mp2v2lb.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_opt12v1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_opt12v1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_opt12v2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_opt12v2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_opt12v2lb.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_opt12v2lb.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_opt22v1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_opt22v1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_opt22v2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_opt22v2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_opt22v2lb.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_opt22v2lb.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_zapt2v1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_zapt2v1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_zapt2v2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_zapt2v2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_zapt2v2lb.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mbpt/mbpt_zapt2v2lb.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/clhf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/clhf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/clks_b3lyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/clks_b3lyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/clks_b88.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/clks_b88.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/clks_blyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/clks_blyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/clks_kmlyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/clks_kmlyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/clks_lsdax.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/clks_lsdax.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/clks_xa.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/clks_xa.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/hsoshf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/hsoshf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/hsosks_b3lyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/hsosks_b3lyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/hsosks_b88.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/hsosks_b88.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/hsosks_blyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/hsosks_blyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/hsosks_kmlyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/hsosks_kmlyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/hsosks_lsdax.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/hsosks_lsdax.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/hsosks_xa.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/hsosks_xa.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/mp2r12ap_+ebc.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/mp2r12ap_+ebc.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/mp2r12ap_+gbc+ebc.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/mp2r12ap_+gbc+ebc.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/mp2r12ap_+gbc.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/mp2r12ap_+gbc.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/mp2r12ap_abs+.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/mp2r12ap_abs+.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/mp2r12ap_abs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/mp2r12ap_abs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/mp2r12ap_cabs+.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/mp2r12ap_cabs+.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/mp2r12ap_cabs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/mp2r12ap_cabs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/mp2r12ap_nogebc.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/mp2r12ap_nogebc.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/osshf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/osshf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/qmmm1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/qmmm1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/qmmm2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/qmmm2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/tchf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/tchf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/uhf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/uhf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/uks_b3lyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/uks_b3lyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/uks_b88.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/uks_b88.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/uks_blyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/uks_blyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/uks_kmlyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/uks_kmlyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/uks_lsdax.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/uks_lsdax.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/uks_xa.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/methods/uks_xa.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/mp2r12.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/optts.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/orthog.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf321gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf321gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf321gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf321gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf321gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf321gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf321ppgd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf321ppgd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf321ppgd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf321ppgsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf321ppgsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf321ppgsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf431gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf431gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf431gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf6311gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf6311gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf6311gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf6311gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf6311gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf6311gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf6311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf6311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf6311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf6311ppgssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf6311ppgssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf6311ppgssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631ppgd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631ppgd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631ppgd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631ppgsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631ppgsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631ppgsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631ppgssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631ppgssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scf631ppgssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scfccpv5zd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scfccpv5zd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scfccpv5zd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scfsto2gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scfsto2gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scfsto2gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scfsto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scfsto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scfsto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scfsto3gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scfsto3gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scfsto3gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scfsto6gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scfsto6gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_beh2scfsto6gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf321gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf321gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf321gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf321gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf321gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf321gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf321ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf321ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf321ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf321ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf321ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf321ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf431gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf431gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf431gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf6311gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf6311gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf6311gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf6311gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf6311gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf6311gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf6311ppgssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf6311ppgssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf6311ppgssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631ppgssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631ppgssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscf631ppgssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfaugccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfaugccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfaugccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfaugccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfaugccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfaugccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfaugccpvqzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfaugccpvqzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfaugccpvqzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfaugccpvtzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfaugccpvtzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfaugccpvtzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfccpvqzc2v.in 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ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfsto3gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_bhscfsto3gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf321gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf321gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf321gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf321gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf321gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf321gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf321ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf321ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf321ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf321ppgsc2v.in (added) * 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(added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf631gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf631gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf631ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf631ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf631ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf631ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf631ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf631ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf631ppgssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf631ppgssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scf631ppgssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfaugccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfaugccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfaugccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfaugccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfaugccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfaugccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfaugccpvqzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfaugccpvqzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfaugccpvqzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfaugccpvtzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfaugccpvtzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfaugccpvtzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfccpvqzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfccpvqzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfccpvqzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfccpvtzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfccpvtzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfccpvtzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc0augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc0augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc0augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc0c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc0c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc0c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc1augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc1augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc1augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc1c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc1c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc1c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc2augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc2augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc2augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc2c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc2c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc2c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc3augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc3augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc3augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc3c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc3c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc3c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc4augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc4augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc4augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc4c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc4c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfpc4c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfsto2gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfsto2gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfsto2gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfsto3gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfsto3gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfsto3gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfsto6gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfsto6gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_ch2scfsto6gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf321gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf321gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf321gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf321gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf321gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf321gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf321ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf321ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf321ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf321ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf321ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf321ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf431gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf431gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf431gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf6311gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf6311gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf6311gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf6311gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf6311gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf6311gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf6311ppgssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf6311ppgssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf6311ppgssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631ppgssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631ppgssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscf631ppgssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfaugccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfaugccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfaugccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfaugccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfaugccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfaugccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfaugccpvqzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfaugccpvqzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfaugccpvqzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfaugccpvtzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfaugccpvtzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfaugccpvtzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfccpvqzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfccpvqzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfccpvqzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfccpvtzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfccpvtzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfccpvtzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc0augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc0augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc0augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc0c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc0c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc0c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc1augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc1augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc1augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc1c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc1c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc1c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc2augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc2augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc2augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc2c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc2c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc2c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc3augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc3augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc3augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc3c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc3c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc3c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc4augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc4augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc4augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc4c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc4c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfpc4c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfsto2gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfsto2gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfsto2gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfsto3gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfsto3gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfsto3gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfsto6gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfsto6gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2oscfsto6gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf321gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf321gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf321gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf321gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf321gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf321gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf321ppgd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf321ppgd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf321ppgd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf321ppgsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf321ppgsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf321ppgsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf431gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf431gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf431gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf6311gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf6311gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf6311gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf6311gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf6311gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf6311gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf6311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf6311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf6311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf6311ppgssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf6311ppgssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf6311ppgssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631ppgd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631ppgd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631ppgd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631ppgsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631ppgsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631ppgsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631ppgssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631ppgssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scf631ppgssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfaugccpv5zd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfaugccpv5zd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfaugccpv5zd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfaugccpvdzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfaugccpvdzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfaugccpvdzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfaugccpvqzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfaugccpvqzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfaugccpvqzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfaugccpvtzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfaugccpvtzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfaugccpvtzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfccpv5zd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfccpv5zd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfccpv5zd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfccpvdzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfccpvdzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfccpvdzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfccpvqzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfccpvqzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfccpvqzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfccpvtzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfccpvtzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfccpvtzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc0augd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc0augd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc0augd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc0d2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc0d2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc0d2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc1augd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc1augd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc1augd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc1d2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc1d2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc1d2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc2augd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc2augd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc2augd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc2d2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc2d2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc2d2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc3augd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc3augd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc3augd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc3d2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc3d2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc3d2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc4augd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc4augd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc4augd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc4d2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc4d2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfpc4d2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfsto2gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfsto2gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfsto2gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfsto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfsto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfsto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfsto3gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_h2scfsto3gsd2h.out (added) * 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ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hescf6311gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hescf6311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hescf6311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hescf6311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hescf6311ppgssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hescf6311ppgssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hescf6311ppgssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hescf631gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hescf631gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hescf631gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hescf631gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hescf631gsd2h.out (added) * 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ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hescfsto6gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hescfsto6gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf321gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf321gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf321gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf321gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf321gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf321gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf321ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf321ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf321ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf321ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf321ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf321ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf431gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf431gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf431gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf6311gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf6311gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf6311gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf6311gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf6311gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf6311gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf6311ppgssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf6311ppgssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf6311ppgssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631ppgssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631ppgssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscf631ppgssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfaugccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfaugccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfaugccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfaugccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfaugccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfaugccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfaugccpvqzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfaugccpvqzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfaugccpvqzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfaugccpvtzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfaugccpvtzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfaugccpvtzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfccpvqzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfccpvqzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfccpvqzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfccpvtzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfccpvtzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfccpvtzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc0augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc0augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc0augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc0c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc0c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc0c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc1augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc1augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc1augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc1c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc1c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc1c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc2augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc2augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc2augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc2c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc2c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc2c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc3augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc3augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc3augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc3c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc3c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc3c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc4augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc4augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc4augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc4c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc4c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfpc4c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfsto2gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfsto2gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfsto2gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfsto3gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfsto3gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfsto3gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfsto6gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfsto6gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_hfscfsto6gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf321gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf321gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf321gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf321gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf321gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf321gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf321ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf321ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf321ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf321ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf321ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf321ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf431gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf431gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf431gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf6311gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf6311gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf6311gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf6311gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf6311gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf6311gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf6311ppgssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf6311ppgssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf6311ppgssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631ppgssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631ppgssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscf631ppgssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscfccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscfccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscfccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscfsto2gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscfsto2gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscfsto2gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscfsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscfsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscfsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscfsto3gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscfsto3gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscfsto3gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscfsto6gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscfsto6gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_lihscfsto6gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf321gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf321gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf321gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf321gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf321gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf321gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf321ppgd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf321ppgd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf321ppgd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf321ppgsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf321ppgsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf321ppgsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf431gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf431gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf431gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf6311gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf6311gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf6311gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf6311gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf6311gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf6311gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf6311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf6311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf6311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf6311ppgssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf6311ppgssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf6311ppgssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631ppgd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631ppgd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631ppgd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631ppgsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631ppgsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631ppgsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631ppgssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631ppgssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescf631ppgssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpcvqzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpcvqzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpcvqzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpcvtzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpcvtzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpcvtzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpv5zd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpv5zd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpv5zd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpvdzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpvdzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpvdzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpvqzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpvqzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpvqzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpvtzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpvtzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfaugccpvtzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpcv5zd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpcv5zd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpcv5zd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpcvdzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpcvdzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpcvdzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpcvqzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpcvqzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpcvqzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpcvtzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpcvtzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpcvtzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpv5zd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpv5zd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpv5zd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpvdzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpvdzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpvdzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpvqzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpvqzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpvqzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpvtzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpvtzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfccpvtzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfsto2gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfsto2gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfsto2gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfsto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfsto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfsto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfsto3gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfsto3gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfsto3gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfsto6gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfsto6gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nescfsto6gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf321gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf321gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf321gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf321gscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf321gscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf321gscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf321ppgcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf321ppgcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf321ppgcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf321ppgscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf321ppgscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf321ppgscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf431gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf431gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf431gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf6311gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf6311gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf6311gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf6311gscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf6311gscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf6311gscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf6311gsscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf6311gsscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf6311gsscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf6311ppgsscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf6311ppgsscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf6311ppgsscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631gscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631gscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631gscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631gsscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631gsscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631gsscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631ppgcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631ppgcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631ppgcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631ppgscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631ppgscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631ppgscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631ppgsscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631ppgsscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scf631ppgsscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfaugccpv5zcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfaugccpv5zcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfaugccpv5zcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfaugccpvdzcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfaugccpvdzcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfaugccpvdzcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfaugccpvqzcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfaugccpvqzcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfaugccpvqzcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfaugccpvtzcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfaugccpvtzcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfaugccpvtzcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfccpv5zcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfccpv5zcs.out (added) * 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ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc0augcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc0cs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc0cs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc0cs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc1augcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc1augcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc1augcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc1cs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc1cs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc1cs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc2augcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc2augcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc2augcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc2cs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc2cs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc2cs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc3augcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc3augcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc3augcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc3cs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc3cs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc3cs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc4augcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc4augcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc4augcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc4cs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc4cs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfpc4cs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfsto2gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfsto2gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfsto2gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfsto3gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfsto3gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfsto3gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfsto3gscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfsto3gscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfsto3gscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfsto6gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfsto6gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis1_nh3scfsto6gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf321gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf321gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf321gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf321gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf321gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf321gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf321ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf321ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf321ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf321ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf321ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf321ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf6311gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf6311gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf6311gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf6311gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf6311gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf6311gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631ppgssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631ppgssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscf631ppgssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfaugccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfaugccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfaugccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfaugccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfaugccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfaugccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfaugccpvqzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfaugccpvqzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfaugccpvqzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfaugccpvtzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfaugccpvtzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfaugccpvtzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfccpvqzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfccpvqzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfccpvqzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfccpvtzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfccpvtzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfccpvtzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfsto2gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfsto2gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfsto2gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfsto3gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfsto3gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfsto3gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfsto6gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfsto6gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_alhscfsto6gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf321gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf321gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf321gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf321gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf321gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf321gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf321ppgd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf321ppgd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf321ppgd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf321ppgsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf321ppgsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf321ppgsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf6311gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf6311gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf6311gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf6311gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf6311gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf6311gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf6311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf6311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf6311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631ppgd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631ppgd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631ppgd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631ppgsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631ppgsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631ppgsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631ppgssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631ppgssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscf631ppgssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfaugccpv5zd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfaugccpv5zd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfaugccpv5zd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfaugccpvdzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfaugccpvdzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfaugccpvdzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfaugccpvqzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfaugccpvqzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfaugccpvqzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfaugccpvtzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfaugccpvtzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfaugccpvtzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfccpv5zd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfccpv5zd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfccpv5zd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfccpvdzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfccpvdzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfccpvdzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfccpvqzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfccpvqzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfccpvqzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfccpvtzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfccpvtzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfccpvtzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfsto2gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfsto2gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfsto2gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfsto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfsto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfsto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfsto3gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfsto3gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfsto3gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfsto6gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfsto6gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_arscfsto6gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf321gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf321gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf321gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf321gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf321gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf321gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf321ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf321ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf321ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf321ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf321ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf321ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf431gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf431gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf431gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf6311gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf6311gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf6311gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf6311gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf6311gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf6311gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631ppgssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631ppgssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscf631ppgssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfaugccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfaugccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfaugccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfaugccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfaugccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfaugccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfaugccpvqzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfaugccpvqzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfaugccpvqzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfaugccpvtzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfaugccpvtzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfaugccpvtzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfccpvqzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfccpvqzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfccpvqzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfccpvtzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfccpvtzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfccpvtzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc0augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc0augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc0augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc0c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc0c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc0c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc1augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc1augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc1augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc1c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc1c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc1c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc2augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc2augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc2augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc2c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc2c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc2c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc3augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc3augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc3augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc3c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc3c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc3c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc4augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc4augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc4augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc4c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc4c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfpc4c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfsto2gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfsto2gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfsto2gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfsto3gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfsto3gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfsto3gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfsto6gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfsto6gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_h2sscfsto6gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf321gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf321gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf321gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf321gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf321gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf321gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf321ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf321ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf321ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf321ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf321ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf321ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf431gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf431gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf431gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf6311gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf6311gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf6311gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf6311gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf6311gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf6311gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631ppgssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631ppgssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscf631ppgssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfaugccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfaugccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfaugccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfaugccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfaugccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfaugccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfaugccpvqzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfaugccpvqzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfaugccpvqzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfaugccpvtzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfaugccpvtzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfaugccpvtzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfccpvqzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfccpvqzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfccpvqzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfccpvtzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfccpvtzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfccpvtzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc0augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc0augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc0augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc0c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc0c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc0c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc1augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc1augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc1augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc1c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc1c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc1c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc2augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc2augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc2augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc2c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc2c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc2c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc3augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc3augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc3augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc3c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc3c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc3c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc4augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc4augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc4augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc4c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc4c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfpc4c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfsto2gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfsto2gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfsto2gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfsto3gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfsto3gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfsto3gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfsto6gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfsto6gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_hclscfsto6gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf321gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf321gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf321gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf321gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf321gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf321gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf321ppgd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf321ppgd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf321ppgd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf321ppgsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf321ppgsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf321ppgsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf6311gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf6311gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf6311gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf6311gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf6311gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf6311gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf6311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf6311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf6311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scfsto2gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scfsto2gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scfsto2gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scfsto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scfsto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scfsto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scfsto3gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scfsto3gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scfsto3gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scfsto6gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scfsto6gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_mgh2scfsto6gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf321gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf321gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf321gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf321gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf321gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf321gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf321ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf321ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf321ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf321ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf321ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf321ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf6311gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf6311gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf6311gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf6311gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf6311gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf6311gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631ppgssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631ppgssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscf631ppgssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscfsto2gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscfsto2gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscfsto2gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscfsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscfsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscfsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscfsto3gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscfsto3gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscfsto3gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscfsto6gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscfsto6gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_nahscfsto6gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf321gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf321gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf321gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf321gscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf321gscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf321gscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf321ppgcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf321ppgcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf321ppgcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf321ppgscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf321ppgscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf321ppgscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf431gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf431gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf431gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf6311gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf6311gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf6311gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf6311gscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf6311gscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf6311gscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf6311gsscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf6311gsscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf6311gsscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631gscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631gscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631gscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631gsscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631gsscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631gsscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631ppgcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631ppgcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631ppgcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631ppgscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631ppgscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631ppgscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631ppgsscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631ppgsscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scf631ppgsscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfaugccpv5zcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfaugccpv5zcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfaugccpv5zcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvdzcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvdzcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvdzcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvqzcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvqzcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvqzcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvtzcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvtzcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvtzcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfccpv5zcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfccpv5zcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfccpv5zcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfccpvdzcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfccpvdzcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfccpvdzcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfccpvqzcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfccpvqzcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfccpvqzcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfccpvtzcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfccpvtzcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfccpvtzcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc0augcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc0augcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc0augcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc0cs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc0cs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc0cs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc1augcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc1augcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc1augcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc1cs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc1cs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc1cs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc2augcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc2augcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc2augcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc2cs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc2cs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc2cs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc3augcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc3augcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc3augcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc3cs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc3cs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc3cs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc4augcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc4augcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc4augcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc4cs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc4cs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfpc4cs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfsto2gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfsto2gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfsto2gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfsto3gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfsto3gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfsto3gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfsto3gscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfsto3gscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfsto3gscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfsto6gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfsto6gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_ph3scfsto6gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf321gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf321gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf321gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf321gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf321gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf321gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf321ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf321ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf321ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf321ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf321ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf321ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf6311gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf6311gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf6311gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf6311gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf6311gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf6311gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631ppgc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631ppgc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631ppgc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631ppgsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631ppgsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631ppgsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631ppgssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631ppgssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scf631ppgssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfaugccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfaugccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfaugccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvqzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvqzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvqzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvtzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvtzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvtzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfccpvqzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfccpvqzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfccpvqzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfccpvtzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfccpvtzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfccpvtzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc0augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc0augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc0augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc0c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc0c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc0c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc1augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc1augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc1augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc1c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc1c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc1c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc2augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc2augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc2augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc2c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc2c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc2c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc3augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc3augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc3augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc3c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc3c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc3c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc4augc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc4augc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc4augc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc4c2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc4c2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfpc4c2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfsto2gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfsto2gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfsto2gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfsto3gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfsto3gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfsto3gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfsto6gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfsto6gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/basis2_sih2scfsto6gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccacints_scfccpvdzc2varraycints.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccacints_scfccpvdzc2varraycints.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccacints_scfccpvdzc2varraycints.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccacints_scfccpvdzc2vopaquecints.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccacints_scfccpvdzc2vopaquecints.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccacints_scfccpvdzc2vopaquecints.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccafe_h2o.xyz (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccafe_h2oscfgradccpvtz (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccafe_h2oscfgradccpvtz.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccafe_h2oscfgradccpvtz.results (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccafe_h2oscfsto3g (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccafe_h2oscfsto3g.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccafe_h2oscfsto3g.results (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccaintv3_scfccpvtzc2varrayintv3.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccaintv3_scfccpvtzc2varrayintv3.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccaintv3_scfccpvtzc2varrayintv3.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccaintv3_scfccpvtzc2vopaqueintv3.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccaintv3_scfccpvtzc2vopaqueintv3.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccaintv3_scfccpvtzc2vopaqueintv3.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccaintv3_scfsto3gc2varrayintv3.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccaintv3_scfsto3gc2varrayintv3.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccaintv3_scfsto3gc2varrayintv3.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccaintv3_scfsto3gc2vopaqueintv3.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccaintv3_scfsto3gc2vopaqueintv3.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ccaintv3_scfsto3gc2vopaqueintv3.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clksb3lyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clksb3lyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clksb3lyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clksbp86.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clksbp86.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clksbp86.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkshfg96.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkshfg96.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkshfg96.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkskmlyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkskmlyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkskmlyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clksmpwpw91.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clksmpwpw91.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clksmpwpw91.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkspbe.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkspbe.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkspbe.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkspw91.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkspw91.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkspw91.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clksspz81.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clksspz81.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clksspz81.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn1rpa.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn1rpa.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn1rpa.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn3.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn3.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn3.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn4.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn4.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn4.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn5.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn5.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clkssvwn5.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clksxalpha.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clksxalpha.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clksxalpha.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clscf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clscf.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0clscf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0efcopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0efcopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0efcopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0hsosksxalpha.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0hsosksxalpha.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0hsosksxalpha.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0hsosscf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0hsosscf.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0hsosscf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0mp2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0mp2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0mp2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0qnewtopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0qnewtopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0qnewtopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0uksxalpha.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0uksxalpha.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0uksxalpha.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0zapt2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0zapt2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_0zapt2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clksb3lyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clksb3lyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clksb3lyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clksbp86.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clksbp86.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clksbp86.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkshfg96.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkshfg96.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkshfg96.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkskmlyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkskmlyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkskmlyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clksmpwpw91.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clksmpwpw91.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clksmpwpw91.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkspbe.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkspbe.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkspbe.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkspw91.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkspw91.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkspw91.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clksspz81.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clksspz81.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clksspz81.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn1rpa.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn1rpa.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn1rpa.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn3.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn3.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn3.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn4.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn4.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn4.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn5.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn5.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clkssvwn5.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clksxalpha.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clksxalpha.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clksxalpha.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clscf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clscf.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1clscf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1efcopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1efcopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1efcopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1hsosksxalpha.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1hsosksxalpha.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1hsosksxalpha.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1hsosscf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1hsosscf.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1hsosscf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1mp2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1mp2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1mp2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1qnewtopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1qnewtopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1qnewtopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1uksxalpha.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1uksxalpha.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1uksxalpha.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1zapt2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1zapt2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_1zapt2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_2efcopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_2efcopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_2efcopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_2qnewtopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_2qnewtopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_2qnewtopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clksb3lyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clksb3lyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clksb3lyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clksbp86.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clksbp86.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clksbp86.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkshfg96.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkshfg96.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkshfg96.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkskmlyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkskmlyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkskmlyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clksmpwpw91.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clksmpwpw91.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clksmpwpw91.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkspbe.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkspbe.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkspbe.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkspw91.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkspw91.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkspw91.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clksspz81.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clksspz81.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clksspz81.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn1rpa.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn1rpa.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn1rpa.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn3.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn3.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn3.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn4.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn4.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn4.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn5.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn5.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clkssvwn5.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clksxalpha.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clksxalpha.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clksxalpha.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clscf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clscf.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_clscf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_efcopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_efcopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_efcopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_hsosksxalpha.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_hsosksxalpha.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_hsosksxalpha.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_hsosscf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_hsosscf.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_hsosscf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_mp2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_mp2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_mp2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_qnewtopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_qnewtopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_qnewtopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_uksxalpha.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_uksxalpha.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/ckpt_uksxalpha.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3lyp6311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3lyp6311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3lyp6311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3lyp6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3lyp6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3lyp6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3lypsto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3lypsto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3lypsto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3lypsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3lypsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3lypsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3p866311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3p866311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3p866311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3p866311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3p866311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3p866311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3p86sto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3p86sto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3p86sto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3p86sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3p86sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3p86sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3pw916311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3pw916311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3pw916311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3pw916311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3pw916311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3pw916311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3pw91sto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3pw91sto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3pw91sto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3pw91sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3pw91sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ob3pw91sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oblyp6311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oblyp6311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oblyp6311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oblyp6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oblyp6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oblyp6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oblypsto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oblypsto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oblypsto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oblypsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oblypsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oblypsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obp866311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obp866311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obp866311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obp866311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obp866311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obp866311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obp86sto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obp86sto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obp86sto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obp86sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obp86sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obp86sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obpw916311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obpw916311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obpw916311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obpw916311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obpw916311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obpw916311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obpw91sto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obpw91sto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obpw91sto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obpw91sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obpw91sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2obpw91sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohf6311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohf6311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohf6311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohf6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohf6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohf6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfb6311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfb6311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfb6311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfb6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfb6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfb6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfbsto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfbsto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfbsto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfbsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfbsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfbsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfg966311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfg966311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfg966311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfg966311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfg966311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfg966311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfg96sto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfg96sto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfg96sto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfg96sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfg96sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfg96sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfk6311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfk6311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfk6311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfk6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfk6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfk6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfksto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfksto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfksto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfksto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfksto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfksto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfs6311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfs6311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfs6311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfs6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfs6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfs6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfssto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfssto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfssto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfssto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfssto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfssto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfsto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfsto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfsto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ohfsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2okmlyp6311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2okmlyp6311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2okmlyp6311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2okmlyp6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2okmlyp6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2okmlyp6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2okmlypsto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2okmlypsto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2okmlypsto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2okmlypsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2okmlypsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2okmlypsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opbe6311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opbe6311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opbe6311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opbe6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opbe6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opbe6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opbesto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opbesto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opbesto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opbesto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opbesto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opbesto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opw916311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opw916311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opw916311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opw916311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opw916311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opw916311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opw91sto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opw91sto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opw91sto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opw91sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opw91sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2opw91sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ospz816311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ospz816311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ospz816311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ospz816311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ospz816311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ospz816311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ospz81sto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ospz81sto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ospz81sto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ospz81sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ospz81sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2ospz81sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oxalpha6311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oxalpha6311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oxalpha6311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oxalpha6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oxalpha6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oxalpha6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oxalphasto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oxalphasto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oxalphasto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oxalphasto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oxalphasto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/clscf_h2oxalphasto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_alhhfs631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_alhhfs631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_alhhfs631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_alhhfsultrafine631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_alhhfsultrafine631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_alhhfsultrafine631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_b2h6hfs631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_b2h6hfs631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_b2h6hfs631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_b2h6hfsultrafine631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_b2h6hfsultrafine631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_b2h6hfsultrafine631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_beh2hfs631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_beh2hfs631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_beh2hfs631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_beh2hfsultrafine631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_beh2hfsultrafine631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_beh2hfsultrafine631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_c2h2hfs631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_c2h2hfs631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_c2h2hfs631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_c2h2hfsultrafine631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_c2h2hfsultrafine631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_c2h2hfsultrafine631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_c2h4hfs631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_c2h4hfs631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_c2h4hfs631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_c2h4hfsultrafine631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_c2h4hfsultrafine631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_c2h4hfsultrafine631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_ch4hfs631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_ch4hfs631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_ch4hfs631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_ch4hfsultrafine631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_ch4hfsultrafine631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_ch4hfsultrafine631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2hfs631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2hfs631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2hfs631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2hfsultrafine631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2hfsultrafine631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2hfsultrafine631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2ohfs631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2ohfs631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2ohfs631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2ohfsultrafine631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2ohfsultrafine631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2ohfsultrafine631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2shfs631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2shfs631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2shfs631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2shfsultrafine631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2shfsultrafine631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_h2shfsultrafine631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_hclhfs631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_hclhfs631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_hclhfs631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_hclhfsultrafine631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_hclhfsultrafine631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_hclhfsultrafine631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_hfhfs631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_hfhfs631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_hfhfs631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_hfhfsultrafine631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_hfhfsultrafine631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_hfhfsultrafine631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_lihhfs631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_lihhfs631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_lihhfs631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_lihhfsultrafine631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_lihhfsultrafine631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_lihhfsultrafine631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_mgh2hfs631gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_mgh2hfs631gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_mgh2hfs631gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_mgh2hfsultrafine631gsd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_mgh2hfsultrafine631gsd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_mgh2hfsultrafine631gsd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_nahhfs631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_nahhfs631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_nahhfs631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_nahhfsultrafine631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_nahhfsultrafine631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_nahhfsultrafine631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_nh3hfs631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_nh3hfs631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_nh3hfs631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_nh3hfsultrafine631gsauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_nh3hfsultrafine631gsauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_nh3hfsultrafine631gsauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_ph3hfs631gscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_ph3hfs631gscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_ph3hfs631gscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_ph3hfsultrafine631gscs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_ph3hfsultrafine631gscs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_ph3hfsultrafine631gscs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_sih2hfs631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_sih2hfs631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_sih2hfs631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_sih2hfsultrafine631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_sih2hfsultrafine631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/dft_sih2hfsultrafine631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc1opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc1opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc1opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc2opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc2opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc2opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc2vopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc2vopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp2006311gssc2vopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp200sto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp200sto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp200sto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp200sto3gc1opt.in (added) * 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ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp200sto3gc2vopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_mp200sto3gc2vopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc1opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc1opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc1opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc2opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc2opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc2opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc2vopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc2vopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scf6311gssc2vopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scfsto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scfsto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scfsto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scfsto3gc1opt.in (added) * 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(added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2o_scfsto3gc2vopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_mp2006311gssc1frq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_mp2006311gssc1frq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_mp2006311gssc1frq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_mp2006311gssc1optfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_mp2006311gssc1optfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_mp2006311gssc1optfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_mp2006311gssc2vfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_mp2006311gssc2vfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_mp2006311gssc2vfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_mp2006311gssc2voptfrq.in (added) * 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ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_scf6311gssc2vfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_scf6311gssc2voptfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_scf6311gssc2voptfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_scf6311gssc2voptfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_scfsto3gc1frq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_scfsto3gc1frq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_scfsto3gc1frq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_scfsto3gc1optfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_scfsto3gc1optfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_scfsto3gc1optfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_scfsto3gc2vfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_scfsto3gc2vfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_scfsto3gc2vfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_scfsto3gc2voptfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_scfsto3gc2voptfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2ofrq_scfsto3gc2voptfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp200631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp200631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp200631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp200631gsc2vopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp200631gsc2vopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp200631gsc2vopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp201631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp201631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp201631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp201631gsc2vopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp201631gsc2vopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp201631gsc2vopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp210631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp210631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp210631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp210631gsc2vopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp210631gsc2vopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp210631gsc2vopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp211631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp211631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp211631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp211631gsc2vopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp211631gsc2vopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/h2omp2_mp211631gsc2vopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3lyp6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3lyp6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3lyp6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3lypsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3lypsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3lypsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3p866311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3p866311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3p866311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3p86sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3p86sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3p86sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3pw916311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3pw916311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3pw916311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3pw91sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3pw91sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosb3pw91sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosblyp6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosblyp6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosblyp6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosblypsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosblypsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosblypsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosbp866311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosbp866311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosbp866311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosbp86sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosbp86sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosbp86sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosbpw916311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosbpw916311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosbpw916311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosbpw91sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosbpw91sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosbpw91sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshf6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshf6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshf6311gssc2v.qci (added) * 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ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshfg96sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshfk6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshfk6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshfk6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshfksto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshfksto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshfksto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshfs6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshfs6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshfs6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshfssto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshfssto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshfssto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshfsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshfsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoshfsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoskmlyp6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoskmlyp6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoskmlyp6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoskmlypsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoskmlypsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsoskmlypsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsospbe6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsospbe6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsospbe6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsospbesto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsospbesto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsospbesto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsospw916311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsospw916311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsospw916311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsospw91sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsospw91sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsospw91sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosspz816311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosspz816311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosspz816311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosspz81sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosspz81sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosspz81sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosxalpha6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosxalpha6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosxalpha6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosxalphasto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosxalphasto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_ch2hsosxalphasto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3lyp6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3lyp6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3lyp6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3lypsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3lypsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3lypsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3p866311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3p866311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3p866311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3p86sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3p86sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3p86sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3pw916311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3pw916311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3pw916311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3pw91sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3pw91sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosb3pw91sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosblyp6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosblyp6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosblyp6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosblypsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosblypsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosblypsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosbp866311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosbp866311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosbp866311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosbp86sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosbp86sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosbp86sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosbpw916311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosbpw916311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosbpw916311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosbpw91sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosbpw91sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosbpw91sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshf6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshf6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshf6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfb6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfb6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfb6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfbsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfbsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfbsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfg966311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfg966311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfg966311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfg96sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfg96sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfg96sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfk6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfk6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfk6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfksto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfksto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfksto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfs6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfs6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfs6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfssto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfssto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfssto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoshfsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoskmlyp6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoskmlyp6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoskmlyp6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoskmlypsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoskmlypsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsoskmlypsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsospbe6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsospbe6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsospbe6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsospbesto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsospbesto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsospbesto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsospw916311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsospw916311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsospw916311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsospw91sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsospw91sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsospw91sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosspz816311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosspz816311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosspz816311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosspz81sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosspz81sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosspz81sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosxalpha6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosxalpha6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosxalpha6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosxalphasto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosxalphasto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/hsosscf_h2ohsosxalphasto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_hfch2opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_hfch2opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_hfch2opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_hfh2ofreq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_hfh2ofreq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_hfh2ofreq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_hfh2oopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_hfh2oopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_hfh2oopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_ksh2o.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_ksh2o.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_ksh2o.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_ksh2oco.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_ksh2oco.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_ksh2oco.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_mp2h2o.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_mp2h2o.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_mp2h2o.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_mp2r12ah2o.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_mp2r12ah2o.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_mp2r12ah2o.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_mp2r12aph2o.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_mp2r12aph2o.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_mp2r12aph2o.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_rhfch2opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_rhfch2opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_rhfch2opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_rksch2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_rksch2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_rksch2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_uhfch2opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_uhfch2opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_uhfch2opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_uksch2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_uksch2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_uksch2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_zapt2ch2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_zapt2ch2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/input_zapt2ch2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2mem.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2mem.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2mem.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2mem_auto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2mem_auto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2mem_auto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2mem_c1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2mem_c1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2mem_c1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2mem_dyn.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2mem_dyn.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2mem_dyn.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2mem_mp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2mem_mp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2mem_mp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_c6h6_multipass.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_c6h6_multipass.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_c6h6_multipass.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_ne2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_ne2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_ne2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_ne2_dyn.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_ne2_dyn.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_ne2_dyn.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_ne2_multipass.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_ne2_multipass.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_ne2_multipass.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_ne2_posix.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_ne2_posix.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_ne2_posix.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_ne2_tz.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_ne2_tz.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2r12_ne2_tz.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2v1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2v1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2v1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2v2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2v2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2v2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2v2_mp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2v2_mp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2v2_mp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2v2lb.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2v2lb.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_mp2v2lb.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt12v1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt12v1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt12v1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt12v2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt12v2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt12v2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt12v2lb.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt12v2lb.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt12v2lb.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt22v1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt22v1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt22v1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt22v2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt22v2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt22v2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt22v2lb.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt22v2lb.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_opt22v2lb.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_zapt2v1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_zapt2v1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_zapt2v1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_zapt2v2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_zapt2v2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_zapt2v2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_zapt2v2lb.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_zapt2v2lb.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mbpt_zapt2v2lb.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clhf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clhf.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clhf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_b3lyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_b3lyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_b3lyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_b88.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_b88.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_b88.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_blyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_blyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_blyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_kmlyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_kmlyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_kmlyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_lsdax.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_lsdax.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_lsdax.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_xa.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_xa.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_clks_xa.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsoshf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsoshf.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsoshf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_b3lyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_b3lyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_b3lyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_b88.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_b88.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_b88.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_blyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_blyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_blyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_kmlyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_kmlyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_kmlyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_lsdax.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_lsdax.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_lsdax.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_xa.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_xa.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_hsosks_xa.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_+ebc.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_+ebc.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_+ebc.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_+gbc+ebc.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_+gbc+ebc.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_+gbc+ebc.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_+gbc.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_+gbc.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_+gbc.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_abs+.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_abs+.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_abs+.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_abs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_abs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_abs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_cabs+.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_cabs+.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_cabs+.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_cabs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_cabs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_cabs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_nogebc.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_nogebc.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_mp2r12ap_nogebc.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_osshf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_osshf.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_osshf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_qmmm1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_qmmm1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_qmmm1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_qmmm2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_qmmm2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_qmmm2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_tchf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_tchf.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_tchf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uhf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uhf.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uhf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_b3lyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_b3lyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_b3lyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_b88.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_b88.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_b88.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_blyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_blyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_blyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_kmlyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_kmlyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_kmlyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_lsdax.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_lsdax.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_lsdax.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_xa.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_xa.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/methods_uks_xa.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha00ccpvdzaugccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha00ccpvdzaugccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha00ccpvdzaugccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha00ccpvdzccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha00ccpvdzccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha00ccpvdzccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha10ccpvdzaugccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha10ccpvdzaugccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha10ccpvdzaugccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha10ccpvdzccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha10ccpvdzccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha10ccpvdzccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime00ccpvdzaugccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime00ccpvdzaugccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime00ccpvdzaugccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime00ccpvdzccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime00ccpvdzccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime00ccpvdzccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime10ccpvdzaugccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime10ccpvdzaugccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime10ccpvdzaugccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime10ccpvdzccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime10ccpvdzccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime10ccpvdzccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/opt_b2h6scf631gsd2hopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/opt_b2h6scf631gsd2hopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/opt_b2h6scf631gsd2hopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/opt_beh2scf631gsd2hopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/opt_beh2scf631gsd2hopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/opt_beh2scf631gsd2hopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/opt_c2h2scf631gsd2hopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/opt_c2h2scf631gsd2hopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/opt_c2h2scf631gsd2hopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/opt_h2oscf631gsc2vopt.in (added) * 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ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/optts_az2scf321gc1opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/optts_az2scf321gc1opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/optts_az3scf321gc1opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/optts_az3scf321gc1opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/optts_az3scf321gc1opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt1can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt1can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt1can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt1gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt1gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt1gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt1sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt1sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt1sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt0can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt0can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt0can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt0gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt0gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt0gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt0sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt0sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt0sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt1can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt1can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt1can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt1gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt1gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt1gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt1sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt1sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2omp2v2lb006311ppgssc2vt1sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt0can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt0can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt0can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt0gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt0gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt0gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt0sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt0sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt0sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt1can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt1can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt1can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt1gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt1gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt1gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt1sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt1sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2oscf6311ppgssc2vt1sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt0can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt0can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt0can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt0gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt0gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt0gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt0sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt0sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt0sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt1can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt1can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt1can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt1gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt1gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt1gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt1sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt1sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v1006311ppgssc2vt1sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt0can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt0can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt0can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt0gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt0gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt0gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt0sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt0sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt0sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt1can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt1can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt1can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt1gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt1gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt1gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt1sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt1sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2006311ppgssc2vt1sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt0can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt0can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt0can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt0gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt0gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt0gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt0sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt0sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt0sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt1can.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt1can.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt1can.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt1gs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt1gs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt1gs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt1sym.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt1sym.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/orthog_h2ozapt2v2lb006311ppgssc2vt1sym.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gc2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gc2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gc2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gci.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gci.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gci.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2mp222sto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gc2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gc2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gc2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gci.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gci.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gci.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_c2h2scfsto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gc2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gc2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gc2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gci.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gci.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gci.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubmp284sto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gc2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gc2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gc2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gci.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gci.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gci.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm1_cubscfsto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2nsscfccpv5zauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2nsscfccpv5zauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2nsscfccpv5zauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2nsscfccpvdzauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2nsscfccpvdzauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2nsscfccpvdzauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2nsscfccpvqzauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2nsscfccpvqzauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2nsscfccpvqzauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2nsscfccpvtzauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2nsscfccpvtzauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2nsscfccpvtzauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zc2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zc2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zc2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zci.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zci.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zci.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpv5zd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzc2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzc2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzc2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzci.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzci.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzci.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvdzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzc2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzc2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzc2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzci.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzci.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzci.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvqzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzc2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzc2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzc2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzci.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzci.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzci.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzcs.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzcs.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzcs.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm2_c2h2scfccpvtzd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_az_c2_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_az_c2_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_az_c2_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h2_c2h_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h2_c2h_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h2_c2h_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h2_d2h_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h2_d2h_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h2_d2h_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h2cl2f2_ci_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h2cl2f2_ci_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h2cl2f2_ci_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h4_c2v_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h4_c2v_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h4_c2v_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h4_d2_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h4_d2_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h4_d2_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h4_d2h_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h4_d2h_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h4_d2h_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h4f2_c2h_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h4f2_c2h_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h4f2_c2h_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h6_c2h_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h6_c2h_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_c2h6_c2h_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_ch2nh_cs_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_ch2nh_cs_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_ch2nh_cs_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_ch4_c2v_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_ch4_c2v_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_ch4_c2v_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_h2o_c2v_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_h2o_c2v_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_h2o_c2v_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_h2orot_c2v_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_h2orot_c2v_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_h2orot_c2v_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_h2ostack_c1_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_h2ostack_c1_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_h2ostack_c1_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_h2ostack_c2v_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_h2ostack_c2v_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_h2ostack_c2v_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_hcn_c2v_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_hcn_c2v_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_hcn_c2v_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_he_d2h_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_he_d2h_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_he_d2h_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_hno_cs_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_hno_cs_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_hno_cs_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_nh3_cs_scfsto3gauto.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_nh3_cs_scfsto3gauto.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/symm3_nh3_cs_scfsto3gauto.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3lyp6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3lyp6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3lyp6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3lypsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3lypsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3lypsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3p866311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3p866311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3p866311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3p86sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3p86sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3p86sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3pw916311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3pw916311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3pw916311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3pw91sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3pw91sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ub3pw91sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ublyp6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ublyp6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ublyp6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ublypsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ublypsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ublypsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ubp866311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ubp866311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ubp866311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ubp86sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ubp86sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ubp86sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ubpw916311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ubpw916311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ubpw916311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ubpw91sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ubpw91sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ubpw91sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhf6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhf6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhf6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfb6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfb6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfb6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfbsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfbsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfbsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfg966311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfg966311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfg966311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfg96sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfg96sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfg96sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfk6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfk6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfk6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfksto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfksto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfksto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfs6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfs6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfs6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfssto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfssto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfssto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uhfsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ukmlyp6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ukmlyp6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ukmlyp6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ukmlypsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ukmlypsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2ukmlypsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2upbe6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2upbe6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2upbe6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2upbesto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2upbesto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2upbesto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2upw916311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2upw916311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2upw916311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2upw91sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2upw91sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2upw91sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uspz816311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uspz816311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uspz816311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uspz81sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uspz81sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uspz81sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uxalpha6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uxalpha6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uxalpha6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uxalphasto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uxalphasto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_ch2uxalphasto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3lyp6311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3lyp6311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3lyp6311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3lypsto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3lypsto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3lypsto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3p866311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3p866311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3p866311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3p86sto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3p86sto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3p86sto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3pw916311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3pw916311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3pw916311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3pw91sto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3pw91sto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ub3pw91sto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ublyp6311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ublyp6311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ublyp6311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ublypsto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ublypsto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ublypsto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ubp866311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ubp866311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ubp866311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ubp86sto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ubp86sto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ubp86sto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ubpw916311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ubpw916311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ubpw916311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ubpw91sto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ubpw91sto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ubpw91sto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhf6311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhf6311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhf6311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfb6311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfb6311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfb6311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfbsto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfbsto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfbsto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfg966311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfg966311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfg966311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfg96sto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfg96sto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfg96sto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfk6311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfk6311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfk6311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfksto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfksto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfksto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfs6311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfs6311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfs6311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfssto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfssto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfssto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfsto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfsto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uhfsto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ukmlyp6311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ukmlyp6311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ukmlyp6311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ukmlypsto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ukmlypsto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2ukmlypsto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2upbe6311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2upbe6311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2upbe6311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2upbesto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2upbesto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2upbesto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2upw916311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2upw916311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2upw916311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2upw91sto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2upw91sto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2upw91sto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uspz816311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uspz816311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uspz816311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uspz81sto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uspz81sto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uspz81sto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uxalpha6311gssd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uxalpha6311gssd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uxalpha6311gssd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uxalphasto3gd2h.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uxalphasto3gd2h.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_dh2uxalphasto3gd2h.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3lyp6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3lyp6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3lyp6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3lypsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3lypsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3lypsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3p866311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3p866311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3p866311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3p86sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3p86sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3p86sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3pw916311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3pw916311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3pw916311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3pw91sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3pw91sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oub3pw91sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oublyp6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oublyp6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oublyp6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oublypsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oublypsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oublypsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oubp866311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oubp866311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oubp866311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oubp86sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oubp86sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oubp86sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oubpw916311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oubpw916311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oubpw916311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oubpw91sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oubpw91sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oubpw91sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhf6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhf6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhf6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfb6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfb6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfb6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfbsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfbsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfbsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfg966311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfg966311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfg966311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfg96sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfg96sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfg96sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfk6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfk6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfk6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfksto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfksto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfksto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfs6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfs6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfs6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfssto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfssto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfssto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouhfsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oukmlyp6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oukmlyp6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oukmlyp6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oukmlypsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oukmlypsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oukmlypsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oupbe6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oupbe6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oupbe6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oupbesto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oupbesto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oupbesto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oupw916311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oupw916311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oupw916311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oupw91sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oupw91sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2oupw91sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouspz816311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouspz816311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouspz816311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouspz81sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouspz81sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouspz81sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouxalpha6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouxalpha6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouxalpha6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouxalphasto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouxalphasto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/ref/uscf_h2ouxalphasto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/symm1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/symm2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/symm3.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/uscf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/version.h (added) * ThirdParty/mpqc_open/src/bin/scls/LIBS.h (added) * ThirdParty/mpqc_open/src/bin/scls/Makefile (added) * ThirdParty/mpqc_open/src/bin/scls/scls.cc (added) * ThirdParty/mpqc_open/src/bin/scls/scls.dox (added) * ThirdParty/mpqc_open/src/bin/scpr/LIBS.h (added) * ThirdParty/mpqc_open/src/bin/scpr/Makefile (added) * ThirdParty/mpqc_open/src/bin/scpr/scpr.cc (added) * ThirdParty/mpqc_open/src/bin/scpr/scpr.dox (added) * ThirdParty/mpqc_open/src/lib/Makefile (added) * ThirdParty/mpqc_open/src/lib/chemistry/Makefile (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_ChemistryOpt_CoordinateModel_Impl.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_ChemistryOpt_CoordinateModel_Impl.hh (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_Chemistry_MoleculeViewer_Impl.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_Chemistry_MoleculeViewer_Impl.hh (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_Chemistry_Molecule_Impl.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_Chemistry_Molecule_Impl.hh (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_Chemistry_QC_ModelFactory_Impl.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_Chemistry_QC_ModelFactory_Impl.hh (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_Chemistry_QC_Model_Impl.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_Chemistry_QC_Model_Impl.hh (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_ComponentClassDescription_Impl.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_ComponentClassDescription_Impl.hh (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_ComponentFactory_Impl.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_ComponentFactory_Impl.hh (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_GaussianBasis_Atomic_Impl.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_GaussianBasis_Atomic_Impl.hh (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_GaussianBasis_Molecular_Impl.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_GaussianBasis_Molecular_Impl.hh (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_GaussianBasis_Shell_Impl.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_GaussianBasis_Shell_Impl.hh (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_IntegralEvaluator2_Impl.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_IntegralEvaluator2_Impl.hh (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_IntegralEvaluator3_Impl.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_IntegralEvaluator3_Impl.hh (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_IntegralEvaluator4_Impl.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_IntegralEvaluator4_Impl.hh (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_IntegralEvaluatorFactory_Impl.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_IntegralEvaluatorFactory_Impl.hh (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_Physics_Units_Impl.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_Physics_Units_Impl.hh (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_SimpleDriver_Impl.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/MPQC_SimpleDriver_Impl.hh (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/Makefile (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/basis_cca_to_sc.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/ccaiter.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/except.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/except.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/mpqccomponents.dox (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/socket.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/cca/socket.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/Makefile (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/atominfo.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/atominfo.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/bend.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/cartcoor.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/coor.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/coor.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/energy.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/energy.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/fdhess.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/fdhess.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/formula.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/formula.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/hess.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/hess.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/imcoor.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/linip.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/linkage.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/linop.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/localdef.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/molecule.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/molecule.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/molfreq.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/molfreq.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/molrender.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/molrender.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/molshape.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/molshape.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/molsymm.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/moltest.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/moltest.in (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/out.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/redund.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/simple.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/simple.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/stors.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/stre.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/symmcoor.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/symmetrize.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/taylor.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/taylor.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/tors.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/Makefile (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/Makefile (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/aotoso.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/basis.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/btest.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/btest.kv (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/cartiter.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/cartiter.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/dercent.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/dercent.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/distshpair.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/distshpair.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/extent.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/extent.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/f77sym.in (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/files.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/files.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/gaussbas.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/gaussbas.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/gaussbaval.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/gaussshell.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/gaussshell.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/gaussshval.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/gpetite.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/gpetite.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/integral.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/integral.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/obint.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/obint.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/orthog.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/orthog.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/petite.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/petite.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/shellrot.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/shellrot.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/sobasis.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/sobasis.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/sointegral.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/sointegral.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/symmint.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/symmint.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/tbint.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/tbint.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/transform.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/transform.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/Makefile (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/cartit.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/cints.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/cints.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/cintstest.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/cintstest.in (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/comp_eri.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/comp_grt.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/edipole.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/equadrupole.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/eri.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/eri.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/eri_quartet_data.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/fjt.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/fjt.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/grt.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/grt.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/grt_quartet_data.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/hcore.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/int1e.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/int1e.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/int2e.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/int2e.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/kinetic.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/linkage.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/macros.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/nuclear.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/obintcints.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/obintcints.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/obosrr.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/overlap.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/permute2e.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/primpairs.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/primpairs.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/shellpairs.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/shellpairs.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/static.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/storage.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/storage.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/tbintcints.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/tbintcints.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/tform.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/tform.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/Makefile (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/clks.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/clks.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/clkstmpl.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/dfttest.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/dfttest.in (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/functional.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/functional.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/hsosks.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/hsosks.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/hsoskstmpl.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/integrator.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/integrator.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/lebedev.c (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/linkage.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/tmplinst.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/uks.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/uks.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/ukstmpl.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/Makefile (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/cartit.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/int1e.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/int1e.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/int2e.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/int2e.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/intcca.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/intcca.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/linkage.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/macros.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/obintcca.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/obintcca.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/tbintcca.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/tbintcca.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/tform.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/Makefile (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/array.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/array.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/atominfo.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/bounds.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/build2e.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/cartitv3.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/comp1e.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/comp2e.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/comp2e3c.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/fjt.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/fjt.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/fjttest.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/flags.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/init2e.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/int1e.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/int1e.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/int2e.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/int2e.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/inttest.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/inttest.in (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/intv3.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/intv3.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/macros.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/obintv3.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/obintv3.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/offsets.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/print2e.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/shift2e.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/storage.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/storage.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/store.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/tbintv3.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/tbintv3.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/tformv3.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/tformv3.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/types.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/utils.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/Makefile (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/bzerofast.c (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/bzerofast.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/cscphf.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/csgmat.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/csgrad.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/csgrad34qb.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/csgrad34qb.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/csgrade12.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/csgrade12.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/csgrads2pdm.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/csgrads2pdm.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/hsosv1.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/hsosv1e1.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/hsosv1e1.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/hsosv2.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/hsosv2lb.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/linkage.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/mbpt.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/mbpt.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/mbpttest.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/mbpttest.in (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/mp2extrap.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/mp2extrap.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/util.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/util.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/Makefile (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/blas.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/compute_a_gebc.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/compute_a_gebc_abs1.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/compute_a_gebc_vbs.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/compute_amps.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/compute_energy_a.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/compute_ijxy.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/compute_ikjy.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/compute_ixjy.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/compute_vxb_a_asymm.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/compute_vxb_a_symm.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/coulomb.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/dualbasis_mp2.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/ebc_contribs.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/exchange.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/f77sym.in (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/fock.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/gbc_contribs.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/lapack.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/linearr12.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/linkage.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/mbptr12.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/mbptr12.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/mbptr12test.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/mbptr12test.in (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/moindexspace.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/moindexspace.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/mp2r12_energy.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/mp2r12_energy.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/multipole_ints.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/pairiter.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/pairiter.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/print_scmat_norms.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/r12_amps.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/r12_amps.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/r12ia.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/r12ia.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/r12ia_memgrp.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/r12ia_memgrp.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/r12ia_mpiiofile.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/r12ia_mpiiofile.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/r12ia_node0file.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/r12ia_node0file.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/r12int_eval.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/r12int_eval.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/ri_basis.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/svd.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/svd.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/transform_123inds.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/transform_123inds.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/transform_12inds.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/transform_12inds.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/transform_13inds.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/transform_13inds.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/transform_factory.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/transform_factory.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/transform_ijxy.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/transform_ijxy.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/transform_ikjy.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/transform_ikjy.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/transform_ixjy.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/transform_ixjy.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/transform_tbint.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/transform_tbint.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/twobodygrid.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/twobodygrid.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/vxb_eval_info.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/vxb_eval_info.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/Makefile (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/build.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/build.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0100.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0100AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0101.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0101AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0111.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0111AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0200.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0200AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0201.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0201AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0202.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0202AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0211.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0211AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0212.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0212AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0222.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0222AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0300.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0300AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0301.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0301AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0302.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0302AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0303.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0303AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0311.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0311AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0312.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0312AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0313.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0313AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0322.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0322AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0323.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0323AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0333.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0333AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1100.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1100AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1111.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1111AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1200.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1200AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1201.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1201AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1211.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1211AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1212.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1212AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1222.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1222AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1300.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1300AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1301.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1301AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1302.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1302AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1311.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1311AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1312.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1312AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1313.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1313AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1322.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1322AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1323.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1323AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1333.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1333AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i2200.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i2200AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i2201.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i2201AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i2211.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i2211AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i2222.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i2222AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i2300.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i2300AB.cc (added) * 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ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i3300.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i3300AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i3301.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i3301AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i3302.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i3302AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i3311.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i3311AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i3312.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i3312AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i3322.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i3322AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i3333.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i3333AB.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/psi/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/psi/Makefile (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/psi/linkage.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/psi/mpqcpsi.dox (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/psi/psi.in (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/psi/psiexenv.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/psi/psiexenv.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/psi/psifile11.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/psi/psifile11.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/psi/psiinput.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/psi/psiinput.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/psi/psitest.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/psi/psiwfn.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/psi/psiwfn.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/Makefile (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/clhf.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/clhf.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/clhftmpl.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/clscf.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/clscf.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/effh.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/effh.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/gbuild.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/hsoshf.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/hsoshf.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/hsoshftmpl.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/hsosscf.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/hsosscf.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/lbgbuild.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/lgbuild.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/linkage.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/ltbgrad.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/mpqc.in (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/osshf.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/osshf.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/osshftmpl.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/ossscf.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/ossscf.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/scf.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/scf.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/scfgradient.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/scflocal.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/scfops.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/scfops.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/scftest.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/scfvector.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/svd.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/tbgrad.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/tchf.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/tchf.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/tchftmpl.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/tcscf.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/tcscf.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/tmplinst.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/uhf.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/uhf.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/uhftmpl.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/uscf.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/uscf.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/Makefile (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/accum.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/accum.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/density.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/density.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/densval.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/eht.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/eht.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/hcorewfn.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/linkage.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/nao.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/natorbval.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/obwfn.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/obwfn.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/orbital.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/orbital.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/solvent.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/solvent.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/wfn.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/wfn.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/wfntest.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/wfntest.kv (added) * ThirdParty/mpqc_open/src/lib/chemistry/solvent/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/solvent/Makefile (added) * ThirdParty/mpqc_open/src/lib/chemistry/solvent/bem.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/solvent/bem.h (added) * ThirdParty/mpqc_open/src/lib/chemistry/solvent/bemtest.cc (added) * ThirdParty/mpqc_open/src/lib/chemistry/solvent/bemtest.in (added) * ThirdParty/mpqc_open/src/lib/chemistry/solvent/disprep.cc (added) * ThirdParty/mpqc_open/src/lib/math/Makefile (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/Makefile (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/edge.cc (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/edge.h (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/implicit.c (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/implicit.h (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/isosurf.cc (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/isosurf.h (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/isotest.cc (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/isotest.in (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/shape.cc (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/shape.h (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/surf.cc (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/surf.h (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/surfor.cc (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/surfse.cc (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/surfst.cc (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/tmplinst.cc (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/triangle.cc (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/triangle.h (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/tricoef.cc (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/tricoef.h (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/vertex.cc (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/vertex.h (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/volume.cc (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/volume.h (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/volume_i.cc (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/volume_i.h (added) * ThirdParty/mpqc_open/src/lib/math/optimize/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/math/optimize/Makefile (added) * ThirdParty/mpqc_open/src/lib/math/optimize/conv.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/conv.h (added) * ThirdParty/mpqc_open/src/lib/math/optimize/dfp.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/diis.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/diis.h (added) * ThirdParty/mpqc_open/src/lib/math/optimize/efc.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/efc.h (added) * ThirdParty/mpqc_open/src/lib/math/optimize/function.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/function.h (added) * ThirdParty/mpqc_open/src/lib/math/optimize/gdiis.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/gdiis.h (added) * ThirdParty/mpqc_open/src/lib/math/optimize/kvopt.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/lbfgs.f (added) * ThirdParty/mpqc_open/src/lib/math/optimize/linkage.h (added) * ThirdParty/mpqc_open/src/lib/math/optimize/mcsearch.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/mcsearch.h (added) * ThirdParty/mpqc_open/src/lib/math/optimize/newton.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/newton.h (added) * ThirdParty/mpqc_open/src/lib/math/optimize/opt.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/opt.h (added) * ThirdParty/mpqc_open/src/lib/math/optimize/opttest.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/opttest.in (added) * ThirdParty/mpqc_open/src/lib/math/optimize/powell.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/qnewton.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/qnewton.h (added) * ThirdParty/mpqc_open/src/lib/math/optimize/scextest.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/scextest.in (added) * ThirdParty/mpqc_open/src/lib/math/optimize/scextrap.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/scextrap.h (added) * ThirdParty/mpqc_open/src/lib/math/optimize/scextrapmat.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/scextrapmat.h (added) * ThirdParty/mpqc_open/src/lib/math/optimize/steep.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/steep.h (added) * ThirdParty/mpqc_open/src/lib/math/optimize/transform.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/transform.h (added) * ThirdParty/mpqc_open/src/lib/math/optimize/update.cc (added) * ThirdParty/mpqc_open/src/lib/math/optimize/update.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/Makefile (added) * ThirdParty/mpqc_open/src/lib/math/scmat/NOTES (added) * ThirdParty/mpqc_open/src/lib/math/scmat/abstract.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/abstract.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/blkiter.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/blkiter.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/block.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/block.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/blocked.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/blocked.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/blockeddiag.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/blockedrect.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/blockedsymm.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/blockedtest.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/blockedvect.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/cmatrix.c (added) * ThirdParty/mpqc_open/src/lib/math/scmat/cmatrix.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/dim.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/dim.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/dist.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/dist.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/distdiag.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/disthql.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/disthql.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/distrect.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/distsymm.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/disttest.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/distvect.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/elemop.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/elemop.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/f77sym.in (added) * ThirdParty/mpqc_open/src/lib/math/scmat/linkage.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/local.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/local.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/localdiag.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/localrect.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/localsymm.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/localtest.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/localvect.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/matrix.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/matrix.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/matrix3.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/matrix3.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/matrix_i.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/matrix_i.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/matrixtest.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/matrixtest.in (added) * ThirdParty/mpqc_open/src/lib/math/scmat/mops.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/offset.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/pdsteqr.f (added) * ThirdParty/mpqc_open/src/lib/math/scmat/repl.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/repl.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/repldiag.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/replrect.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/replsymm.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/repltest.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/replvect.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/result.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/result.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/scmat.dox (added) * ThirdParty/mpqc_open/src/lib/math/scmat/svd.c (added) * ThirdParty/mpqc_open/src/lib/math/scmat/util.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/util.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/vector3.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/vector3.h (added) * ThirdParty/mpqc_open/src/lib/math/scmat/vector3_i.cc (added) * ThirdParty/mpqc_open/src/lib/math/scmat/vector3_i.h (added) * ThirdParty/mpqc_open/src/lib/math/symmetry/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/math/symmetry/Makefile (added) * ThirdParty/mpqc_open/src/lib/math/symmetry/chartab.cc (added) * ThirdParty/mpqc_open/src/lib/math/symmetry/corrtab.cc (added) * ThirdParty/mpqc_open/src/lib/math/symmetry/corrtab.h (added) * ThirdParty/mpqc_open/src/lib/math/symmetry/ico.cc (added) * ThirdParty/mpqc_open/src/lib/math/symmetry/irrep.cc (added) * ThirdParty/mpqc_open/src/lib/math/symmetry/maketab.cc (added) * ThirdParty/mpqc_open/src/lib/math/symmetry/pointgrp.cc (added) * ThirdParty/mpqc_open/src/lib/math/symmetry/pointgrp.h (added) * ThirdParty/mpqc_open/src/lib/math/symmetry/rep.cc (added) * ThirdParty/mpqc_open/src/lib/math/symmetry/symmetry.dox (added) * ThirdParty/mpqc_open/src/lib/math/symmetry/symop.cc (added) * ThirdParty/mpqc_open/src/lib/math/symmetry/testpg.cc (added) * ThirdParty/mpqc_open/src/lib/math/symmetry/tetra.cc (added) * ThirdParty/mpqc_open/src/lib/scconfig.h.in (added) * ThirdParty/mpqc_open/src/lib/util/Makefile (added) * ThirdParty/mpqc_open/src/lib/util/class/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/util/class/Makefile (added) * ThirdParty/mpqc_open/src/lib/util/class/class.cc (added) * ThirdParty/mpqc_open/src/lib/util/class/class.dox (added) * ThirdParty/mpqc_open/src/lib/util/class/class.h (added) * ThirdParty/mpqc_open/src/lib/util/class/classtest.cc (added) * ThirdParty/mpqc_open/src/lib/util/class/proxy.h (added) * ThirdParty/mpqc_open/src/lib/util/class/scexception.cc (added) * ThirdParty/mpqc_open/src/lib/util/class/scexception.h (added) * ThirdParty/mpqc_open/src/lib/util/class/scextest.cc (added) * ThirdParty/mpqc_open/src/lib/util/container/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/util/container/Makefile (added) * ThirdParty/mpqc_open/src/lib/util/container/avl.cc (added) * ThirdParty/mpqc_open/src/lib/util/container/avlmap.h (added) * ThirdParty/mpqc_open/src/lib/util/container/avlset.h (added) * ThirdParty/mpqc_open/src/lib/util/container/avltest.cc (added) * ThirdParty/mpqc_open/src/lib/util/container/bitarray.cc (added) * ThirdParty/mpqc_open/src/lib/util/container/bitarray.h (added) * ThirdParty/mpqc_open/src/lib/util/container/carray.cc (added) * ThirdParty/mpqc_open/src/lib/util/container/carray.h (added) * ThirdParty/mpqc_open/src/lib/util/container/compare.h (added) * ThirdParty/mpqc_open/src/lib/util/container/eavlmmap.h (added) * ThirdParty/mpqc_open/src/lib/util/group/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/util/group/Makefile (added) * ThirdParty/mpqc_open/src/lib/util/group/file.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/file.h (added) * ThirdParty/mpqc_open/src/lib/util/group/fileproc.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/fileproc.h (added) * ThirdParty/mpqc_open/src/lib/util/group/globcnt.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/globcnt.h (added) * ThirdParty/mpqc_open/src/lib/util/group/group.dox (added) * ThirdParty/mpqc_open/src/lib/util/group/hcube.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/hcube.h (added) * ThirdParty/mpqc_open/src/lib/util/group/linkage.h (added) * ThirdParty/mpqc_open/src/lib/util/group/memamsg.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/memamsg.h (added) * ThirdParty/mpqc_open/src/lib/util/group/memarmci.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/memarmci.h (added) * ThirdParty/mpqc_open/src/lib/util/group/memiter.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/memiter.h (added) * ThirdParty/mpqc_open/src/lib/util/group/memmsg.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/memmsg.h (added) * ThirdParty/mpqc_open/src/lib/util/group/memmtmpi.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/memmtmpi.h (added) * ThirdParty/mpqc_open/src/lib/util/group/memory.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/memory.h (added) * ThirdParty/mpqc_open/src/lib/util/group/memproc.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/memproc.h (added) * ThirdParty/mpqc_open/src/lib/util/group/memrdma.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/memrdma.h (added) * ThirdParty/mpqc_open/src/lib/util/group/memshm.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/memshm.h (added) * ThirdParty/mpqc_open/src/lib/util/group/memtest.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/memtest.in (added) * ThirdParty/mpqc_open/src/lib/util/group/message.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/message.h (added) * ThirdParty/mpqc_open/src/lib/util/group/messaget.h (added) * ThirdParty/mpqc_open/src/lib/util/group/messimpl.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/messint.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/messmpi.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/messmpi.h (added) * ThirdParty/mpqc_open/src/lib/util/group/messproc.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/messshm.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/messshm.h (added) * ThirdParty/mpqc_open/src/lib/util/group/messtest.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/messtest.in (added) * ThirdParty/mpqc_open/src/lib/util/group/mstate.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/mstate.h (added) * ThirdParty/mpqc_open/src/lib/util/group/pool.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/pool.h (added) * ThirdParty/mpqc_open/src/lib/util/group/pooltest.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/pregtime.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/pregtime.h (added) * ThirdParty/mpqc_open/src/lib/util/group/prttest.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/reduce.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/rnglock.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/rnglock.h (added) * ThirdParty/mpqc_open/src/lib/util/group/rnglocktest.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/thpthd.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/thpthd.h (added) * ThirdParty/mpqc_open/src/lib/util/group/thpuma.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/thpuma.h (added) * ThirdParty/mpqc_open/src/lib/util/group/thread.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/thread.h (added) * ThirdParty/mpqc_open/src/lib/util/group/thrtest.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/topology.cc (added) * ThirdParty/mpqc_open/src/lib/util/group/topology.h (added) * ThirdParty/mpqc_open/src/lib/util/keyval/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/util/keyval/Makefile (added) * ThirdParty/mpqc_open/src/lib/util/keyval/ipv2.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/ipv2.h (added) * ThirdParty/mpqc_open/src/lib/util/keyval/ipv2_alloc.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/ipv2_cwk.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/ipv2_data.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/ipv2_error.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/ipv2_karray.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/ipv2_parse.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/ipv2_parse.h (added) * ThirdParty/mpqc_open/src/lib/util/keyval/ipv2_parse.yy (added) * ThirdParty/mpqc_open/src/lib/util/keyval/ipv2_print.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/ipv2_read.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/ipv2_scan.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/ipv2_scan.h (added) * ThirdParty/mpqc_open/src/lib/util/keyval/ipv2_scan.ll (added) * ThirdParty/mpqc_open/src/lib/util/keyval/keyval.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/keyval.dox (added) * ThirdParty/mpqc_open/src/lib/util/keyval/keyval.h (added) * ThirdParty/mpqc_open/src/lib/util/keyval/keyvalagg.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/keyvalass.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/keyvalipv2.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/keyvalpre.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/keyvalstr.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/keyvaltest.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/keyvaltest.in (added) * ThirdParty/mpqc_open/src/lib/util/keyval/keyvalval.cc (added) * ThirdParty/mpqc_open/src/lib/util/keyval/keyvalval.h (added) * ThirdParty/mpqc_open/src/lib/util/misc/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/util/misc/Makefile (added) * ThirdParty/mpqc_open/src/lib/util/misc/autovec.h (added) * ThirdParty/mpqc_open/src/lib/util/misc/autovectest.cc (added) * ThirdParty/mpqc_open/src/lib/util/misc/bug.cc (added) * ThirdParty/mpqc_open/src/lib/util/misc/bug.h (added) * ThirdParty/mpqc_open/src/lib/util/misc/bugtest.cc (added) * ThirdParty/mpqc_open/src/lib/util/misc/bugtest.in (added) * ThirdParty/mpqc_open/src/lib/util/misc/ccaenv.cc (added) * ThirdParty/mpqc_open/src/lib/util/misc/ccaenv.h (added) * ThirdParty/mpqc_open/src/lib/util/misc/comptest.cc (added) * ThirdParty/mpqc_open/src/lib/util/misc/comptmpl.h (added) * ThirdParty/mpqc_open/src/lib/util/misc/compute.cc (added) * ThirdParty/mpqc_open/src/lib/util/misc/compute.h (added) * ThirdParty/mpqc_open/src/lib/util/misc/exenv.cc (added) * ThirdParty/mpqc_open/src/lib/util/misc/exenv.h (added) * ThirdParty/mpqc_open/src/lib/util/misc/formio.cc (added) * ThirdParty/mpqc_open/src/lib/util/misc/formio.h (added) * ThirdParty/mpqc_open/src/lib/util/misc/formiot.cc (added) * ThirdParty/mpqc_open/src/lib/util/misc/ieee.cc (added) * ThirdParty/mpqc_open/src/lib/util/misc/ieee.h (added) * ThirdParty/mpqc_open/src/lib/util/misc/math.h (added) * ThirdParty/mpqc_open/src/lib/util/misc/newstring.h (added) * ThirdParty/mpqc_open/src/lib/util/misc/regtime.cc (added) * ThirdParty/mpqc_open/src/lib/util/misc/regtime.h (added) * ThirdParty/mpqc_open/src/lib/util/misc/scint.h (added) * ThirdParty/mpqc_open/src/lib/util/misc/scinttest.cc (added) * ThirdParty/mpqc_open/src/lib/util/misc/string.h (added) * ThirdParty/mpqc_open/src/lib/util/misc/timer.h (added) * ThirdParty/mpqc_open/src/lib/util/misc/tregtime.cc (added) * ThirdParty/mpqc_open/src/lib/util/misc/units.cc (added) * ThirdParty/mpqc_open/src/lib/util/misc/units.h (added) * ThirdParty/mpqc_open/src/lib/util/misc/unittest.cc (added) * ThirdParty/mpqc_open/src/lib/util/options/GetLongOpt.3 (added) * ThirdParty/mpqc_open/src/lib/util/options/GetLongOpt.cc (added) * ThirdParty/mpqc_open/src/lib/util/options/GetLongOpt.h (added) * ThirdParty/mpqc_open/src/lib/util/options/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/util/options/Makefile (added) * ThirdParty/mpqc_open/src/lib/util/options/README.cc (added) * ThirdParty/mpqc_open/src/lib/util/options/sample.runs (added) * ThirdParty/mpqc_open/src/lib/util/psi3/Makefile (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/Makefile (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/close.cc (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/done.cc (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/error.cc (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/get_address.cc (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/get_filename.cc (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/get_global_address.cc (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/get_numvols.cc (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/get_volpath.cc (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/init.cc (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/open.cc (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/open_check.cc (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/psifiles.h (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/psio.gbl (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/psio.h (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/psiotest.cc (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/read.cc (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/read_block.cc (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/read_entry.cc (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/rw.cc (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/tocclean.cc (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/tocdel.cc (added) * 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ThirdParty/mpqc_open/src/lib/util/render/rentest.in (added) * ThirdParty/mpqc_open/src/lib/util/render/sphere.cc (added) * ThirdParty/mpqc_open/src/lib/util/render/sphere.h (added) * ThirdParty/mpqc_open/src/lib/util/render/stack.h (added) * ThirdParty/mpqc_open/src/lib/util/render/tempinst.cc (added) * ThirdParty/mpqc_open/src/lib/util/render/transform.cc (added) * ThirdParty/mpqc_open/src/lib/util/render/transform.h (added) * ThirdParty/mpqc_open/src/lib/util/state/LIBS.h (added) * ThirdParty/mpqc_open/src/lib/util/state/Makefile (added) * ThirdParty/mpqc_open/src/lib/util/state/linkage.h (added) * ThirdParty/mpqc_open/src/lib/util/state/proxy.cc (added) * ThirdParty/mpqc_open/src/lib/util/state/proxy.h (added) * ThirdParty/mpqc_open/src/lib/util/state/state.cc (added) * ThirdParty/mpqc_open/src/lib/util/state/state.dox (added) * ThirdParty/mpqc_open/src/lib/util/state/state.h (added) * ThirdParty/mpqc_open/src/lib/util/state/state_bin.cc (added) * ThirdParty/mpqc_open/src/lib/util/state/state_bin.h (added) * ThirdParty/mpqc_open/src/lib/util/state/state_file.cc (added) * ThirdParty/mpqc_open/src/lib/util/state/state_file.h (added) * ThirdParty/mpqc_open/src/lib/util/state/state_text.cc (added) * ThirdParty/mpqc_open/src/lib/util/state/state_text.h (added) * ThirdParty/mpqc_open/src/lib/util/state/statein.cc (added) * ThirdParty/mpqc_open/src/lib/util/state/statein.h (added) * ThirdParty/mpqc_open/src/lib/util/state/stateio.h (added) * ThirdParty/mpqc_open/src/lib/util/state/stateout.cc (added) * ThirdParty/mpqc_open/src/lib/util/state/stateout.h (added) * ThirdParty/mpqc_open/src/lib/util/state/statetest.cc (added) * ThirdParty/mpqc_open/src/lib/util/state/statetest.in (added) * ThirdParty/mpqc_open/src/lib/util/state/tmplinst.cc (added) * ThirdParty/mpqc_open/src/lib/util/state/translate.cc (added) * ThirdParty/mpqc_open/src/lib/util/state/translate.h (added) Merge commit '0b990dfaa8c6007a996d030163a25f7f5fc8a7e7' as ... Thu, 02 Mar 2017 07:35:57 GMT Frederik Heber [0b990d] * .gitignore (added) * CHANGES (added) * CITATION (added) * COPYING (added) * COPYING.LIB (added) * LICENSE (added) * Makefile (added) * README (added) * aclocal.m4 (added) * bin/Makefile (added) * bin/class2tex (added) * bin/config.guess (added) * bin/config.sub (added) * bin/convertbasis.pl (added) * bin/getnwbas.pl (added) * bin/incinstall (added) * bin/install-sh (added) * bin/listlibs.pl (added) * bin/ltmain.sh (added) * bin/mkf77sym.pl.in (added) * bin/objectdir.pl (added) * bin/parsenwbas.pl (added) * bin/rmdotdot (added) * bin/runc++ (added) * bin/sc-config.dox (added) * bin/sc-config.in (added) * bin/sc-libtool.dox (added) * bin/sc-mkf77sym.dox (added) * configure (added) * configure.in (added) * doc/Makefile (added) * doc/compile.dox (added) * doc/develop.dox (added) * doc/devsamp/Makefile (added) * doc/devsamp/mp2.cc (added) * doc/devsamp/mp2.in (added) * doc/download.dox (added) * doc/doxygen.cfg.in (added) * 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src/bin/mpqc/validate/ckpt/ckpt_clkskmlyp.qci (added) * src/bin/mpqc/validate/ckpt/ckpt_clksmpwpw91.in (added) * src/bin/mpqc/validate/ckpt/ckpt_clkspbe.in (added) * src/bin/mpqc/validate/ckpt/ckpt_clkspw91.in (added) * src/bin/mpqc/validate/ckpt/ckpt_clksspz81.in (added) * src/bin/mpqc/validate/ckpt/ckpt_clkssvwn1.in (added) * src/bin/mpqc/validate/ckpt/ckpt_clkssvwn1rpa.in (added) * src/bin/mpqc/validate/ckpt/ckpt_clkssvwn2.in (added) * src/bin/mpqc/validate/ckpt/ckpt_clkssvwn3.in (added) * src/bin/mpqc/validate/ckpt/ckpt_clkssvwn4.in (added) * src/bin/mpqc/validate/ckpt/ckpt_clkssvwn5.in (added) * src/bin/mpqc/validate/ckpt/ckpt_clksxalpha.in (added) * src/bin/mpqc/validate/ckpt/ckpt_clscf.in (added) * src/bin/mpqc/validate/ckpt/ckpt_clscf.qci (added) * src/bin/mpqc/validate/ckpt/ckpt_efcopt.in (added) * src/bin/mpqc/validate/ckpt/ckpt_efcopt.qci (added) * src/bin/mpqc/validate/ckpt/ckpt_hsosksxalpha.in (added) * src/bin/mpqc/validate/ckpt/ckpt_hsosscf.in (added) * src/bin/mpqc/validate/ckpt/ckpt_hsosscf.qci (added) * src/bin/mpqc/validate/ckpt/ckpt_mp2.in (added) * src/bin/mpqc/validate/ckpt/ckpt_mp2.qci (added) * src/bin/mpqc/validate/ckpt/ckpt_qnewtopt.in (added) * src/bin/mpqc/validate/ckpt/ckpt_qnewtopt.qci (added) * src/bin/mpqc/validate/ckpt/ckpt_uksxalpha.in (added) * src/bin/mpqc/validate/ckpt/energy.qci (added) * src/bin/mpqc/validate/ckpt/gradient.qci (added) * src/bin/mpqc/validate/clscf.qci (added) * src/bin/mpqc/validate/dft.qci (added) * src/bin/mpqc/validate/h2o.qci (added) * src/bin/mpqc/validate/h2ofrq.qci (added) * src/bin/mpqc/validate/h2omp2.qci (added) * src/bin/mpqc/validate/hsosscf.qci (added) * src/bin/mpqc/validate/input/hfch2opt.in (added) * src/bin/mpqc/validate/input/hfh2ofreq.in (added) * src/bin/mpqc/validate/input/hfh2oopt.in (added) * src/bin/mpqc/validate/input/ksh2o.in (added) * src/bin/mpqc/validate/input/ksh2oco.in (added) * src/bin/mpqc/validate/input/mp2h2o.in (added) * src/bin/mpqc/validate/input/mp2r12ah2o.in (added) * src/bin/mpqc/validate/input/mp2r12aph2o.in (added) * src/bin/mpqc/validate/input/rhfch2opt.in (added) * src/bin/mpqc/validate/input/rksch2.in (added) * src/bin/mpqc/validate/input/uhfch2opt.in (added) * src/bin/mpqc/validate/input/uksch2.in (added) * src/bin/mpqc/validate/input/zapt2ch2.in (added) * src/bin/mpqc/validate/makeccain.pl.in (added) * src/bin/mpqc/validate/makein.pl (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2mem.in (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2mem.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2mem_auto.in (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2mem_auto.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2mem_c1.in (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2mem_c1.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2mem_dyn.in (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2mem_dyn.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2mem_mp.in (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2mem_mp.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2r12_c6h6_multipass.in (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2r12_c6h6_multipass.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2.in (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_dyn.in (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_dyn.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_multipass.in (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_multipass.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_posix.in (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_posix.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_tz.in (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2r12_ne2_tz.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2v1.in (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2v1.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2v2.in (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2v2.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2v2_mp.in (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2v2_mp.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2v2lb.in (added) * src/bin/mpqc/validate/mbpt/mbpt_mp2v2lb.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_opt12v1.in (added) * src/bin/mpqc/validate/mbpt/mbpt_opt12v1.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_opt12v2.in (added) * src/bin/mpqc/validate/mbpt/mbpt_opt12v2.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_opt12v2lb.in (added) * src/bin/mpqc/validate/mbpt/mbpt_opt12v2lb.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_opt22v1.in (added) * src/bin/mpqc/validate/mbpt/mbpt_opt22v1.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_opt22v2.in (added) * src/bin/mpqc/validate/mbpt/mbpt_opt22v2.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_opt22v2lb.in (added) * src/bin/mpqc/validate/mbpt/mbpt_opt22v2lb.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_zapt2v1.in (added) * src/bin/mpqc/validate/mbpt/mbpt_zapt2v1.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_zapt2v2.in (added) * src/bin/mpqc/validate/mbpt/mbpt_zapt2v2.qci (added) * src/bin/mpqc/validate/mbpt/mbpt_zapt2v2lb.in (added) * src/bin/mpqc/validate/mbpt/mbpt_zapt2v2lb.qci (added) * src/bin/mpqc/validate/methods/clhf.in (added) * src/bin/mpqc/validate/methods/clhf.qci (added) * src/bin/mpqc/validate/methods/clks_b3lyp.in (added) * src/bin/mpqc/validate/methods/clks_b3lyp.qci (added) * src/bin/mpqc/validate/methods/clks_b88.in (added) * src/bin/mpqc/validate/methods/clks_b88.qci (added) * src/bin/mpqc/validate/methods/clks_blyp.in (added) * src/bin/mpqc/validate/methods/clks_blyp.qci (added) * src/bin/mpqc/validate/methods/clks_kmlyp.in (added) * src/bin/mpqc/validate/methods/clks_kmlyp.qci (added) * src/bin/mpqc/validate/methods/clks_lsdax.in (added) * src/bin/mpqc/validate/methods/clks_lsdax.qci (added) * src/bin/mpqc/validate/methods/clks_xa.in (added) * src/bin/mpqc/validate/methods/clks_xa.qci (added) * src/bin/mpqc/validate/methods/hsoshf.in (added) * src/bin/mpqc/validate/methods/hsoshf.qci (added) * src/bin/mpqc/validate/methods/hsosks_b3lyp.in (added) * src/bin/mpqc/validate/methods/hsosks_b3lyp.qci (added) * src/bin/mpqc/validate/methods/hsosks_b88.in (added) * src/bin/mpqc/validate/methods/hsosks_b88.qci (added) * src/bin/mpqc/validate/methods/hsosks_blyp.in (added) * src/bin/mpqc/validate/methods/hsosks_blyp.qci (added) * src/bin/mpqc/validate/methods/hsosks_kmlyp.in (added) * src/bin/mpqc/validate/methods/hsosks_kmlyp.qci (added) * src/bin/mpqc/validate/methods/hsosks_lsdax.in (added) * src/bin/mpqc/validate/methods/hsosks_lsdax.qci (added) * src/bin/mpqc/validate/methods/hsosks_xa.in (added) * src/bin/mpqc/validate/methods/hsosks_xa.qci (added) * src/bin/mpqc/validate/methods/mp2r12ap_+ebc.in (added) * src/bin/mpqc/validate/methods/mp2r12ap_+ebc.qci (added) * src/bin/mpqc/validate/methods/mp2r12ap_+gbc+ebc.in (added) * src/bin/mpqc/validate/methods/mp2r12ap_+gbc+ebc.qci (added) * src/bin/mpqc/validate/methods/mp2r12ap_+gbc.in (added) * src/bin/mpqc/validate/methods/mp2r12ap_+gbc.qci (added) * src/bin/mpqc/validate/methods/mp2r12ap_abs+.in (added) * src/bin/mpqc/validate/methods/mp2r12ap_abs+.qci (added) * src/bin/mpqc/validate/methods/mp2r12ap_abs.in (added) * src/bin/mpqc/validate/methods/mp2r12ap_abs.qci (added) * src/bin/mpqc/validate/methods/mp2r12ap_cabs+.in (added) * src/bin/mpqc/validate/methods/mp2r12ap_cabs+.qci (added) * src/bin/mpqc/validate/methods/mp2r12ap_cabs.in (added) * src/bin/mpqc/validate/methods/mp2r12ap_cabs.qci (added) * src/bin/mpqc/validate/methods/mp2r12ap_nogebc.in (added) * src/bin/mpqc/validate/methods/mp2r12ap_nogebc.qci (added) * src/bin/mpqc/validate/methods/osshf.in (added) * src/bin/mpqc/validate/methods/osshf.qci (added) * src/bin/mpqc/validate/methods/qmmm1.in (added) * src/bin/mpqc/validate/methods/qmmm1.qci (added) * src/bin/mpqc/validate/methods/qmmm2.in (added) * src/bin/mpqc/validate/methods/qmmm2.qci (added) * src/bin/mpqc/validate/methods/tchf.in (added) * src/bin/mpqc/validate/methods/tchf.qci (added) * src/bin/mpqc/validate/methods/uhf.in (added) * src/bin/mpqc/validate/methods/uhf.qci (added) * src/bin/mpqc/validate/methods/uks_b3lyp.in (added) * src/bin/mpqc/validate/methods/uks_b3lyp.qci (added) * src/bin/mpqc/validate/methods/uks_b88.in (added) * src/bin/mpqc/validate/methods/uks_b88.qci (added) * src/bin/mpqc/validate/methods/uks_blyp.in (added) * src/bin/mpqc/validate/methods/uks_blyp.qci (added) * src/bin/mpqc/validate/methods/uks_kmlyp.in (added) * src/bin/mpqc/validate/methods/uks_kmlyp.qci (added) * src/bin/mpqc/validate/methods/uks_lsdax.in (added) * src/bin/mpqc/validate/methods/uks_lsdax.qci (added) * src/bin/mpqc/validate/methods/uks_xa.in (added) * src/bin/mpqc/validate/methods/uks_xa.qci (added) * src/bin/mpqc/validate/mp2r12.qci (added) * src/bin/mpqc/validate/opt.qci (added) * src/bin/mpqc/validate/optts.qci (added) * src/bin/mpqc/validate/orthog.qci (added) * src/bin/mpqc/validate/ref/basis1_beh2scf321gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_beh2scf321gd2h.out (added) * src/bin/mpqc/validate/ref/basis1_beh2scf321gd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_beh2scf321gsd2h.in (added) * src/bin/mpqc/validate/ref/basis1_beh2scf321gsd2h.out (added) * src/bin/mpqc/validate/ref/basis1_beh2scf321gsd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_beh2scf321ppgd2h.in (added) * src/bin/mpqc/validate/ref/basis1_beh2scf321ppgd2h.out (added) * src/bin/mpqc/validate/ref/basis1_beh2scf321ppgd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_beh2scf321ppgsd2h.in (added) * src/bin/mpqc/validate/ref/basis1_beh2scf321ppgsd2h.out (added) * src/bin/mpqc/validate/ref/basis1_beh2scf321ppgsd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_beh2scf431gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_beh2scf431gd2h.out (added) * src/bin/mpqc/validate/ref/basis1_beh2scf431gd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_beh2scf6311gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_beh2scf6311gd2h.out 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src/bin/mpqc/validate/ref/basis1_beh2scfccpv5zd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_beh2scfsto2gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_beh2scfsto2gd2h.out (added) * src/bin/mpqc/validate/ref/basis1_beh2scfsto2gd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_beh2scfsto3gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_beh2scfsto3gd2h.out (added) * src/bin/mpqc/validate/ref/basis1_beh2scfsto3gd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_beh2scfsto3gsd2h.in (added) * src/bin/mpqc/validate/ref/basis1_beh2scfsto3gsd2h.out (added) * src/bin/mpqc/validate/ref/basis1_beh2scfsto3gsd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_beh2scfsto6gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_beh2scfsto6gd2h.out (added) * src/bin/mpqc/validate/ref/basis1_beh2scfsto6gd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_bhscf321gc2v.in (added) * src/bin/mpqc/validate/ref/basis1_bhscf321gc2v.out (added) * src/bin/mpqc/validate/ref/basis1_bhscf321gc2v.qci (added) * 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src/bin/mpqc/validate/ref/basis1_h2oscfpc2augc2v.in (added) * src/bin/mpqc/validate/ref/basis1_h2oscfpc2augc2v.out (added) * src/bin/mpqc/validate/ref/basis1_h2oscfpc2augc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_h2oscfpc2c2v.in (added) * src/bin/mpqc/validate/ref/basis1_h2oscfpc2c2v.out (added) * src/bin/mpqc/validate/ref/basis1_h2oscfpc2c2v.qci (added) * src/bin/mpqc/validate/ref/basis1_h2oscfpc3augc2v.in (added) * src/bin/mpqc/validate/ref/basis1_h2oscfpc3augc2v.out (added) * src/bin/mpqc/validate/ref/basis1_h2oscfpc3augc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_h2oscfpc3c2v.in (added) * src/bin/mpqc/validate/ref/basis1_h2oscfpc3c2v.out (added) * src/bin/mpqc/validate/ref/basis1_h2oscfpc3c2v.qci (added) * src/bin/mpqc/validate/ref/basis1_h2oscfpc4augc2v.in (added) * src/bin/mpqc/validate/ref/basis1_h2oscfpc4augc2v.out (added) * src/bin/mpqc/validate/ref/basis1_h2oscfpc4augc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_h2oscfpc4c2v.in (added) * 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src/bin/mpqc/validate/ref/basis1_h2scf321gd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scf321gsd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scf321gsd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scf321gsd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scf321ppgd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scf321ppgd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scf321ppgd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scf321ppgsd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scf321ppgsd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scf321ppgsd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scf431gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scf431gd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scf431gd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scf6311gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scf6311gd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scf6311gd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scf6311gsd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scf6311gsd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scf6311gsd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scf6311gssd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scf6311gssd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scf6311gssd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scf6311ppgssd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scf6311ppgssd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scf6311ppgssd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scf631gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scf631gd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scf631gd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scf631gsd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scf631gsd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scf631gsd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scf631gssd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scf631gssd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scf631gssd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scf631ppgd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scf631ppgd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scf631ppgd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scf631ppgsd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scf631ppgsd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scf631ppgsd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scf631ppgssd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scf631ppgssd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scf631ppgssd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scfaugccpv5zd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scfaugccpv5zd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scfaugccpv5zd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scfaugccpvdzd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scfaugccpvdzd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scfaugccpvdzd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scfaugccpvqzd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scfaugccpvqzd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scfaugccpvqzd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scfaugccpvtzd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scfaugccpvtzd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scfaugccpvtzd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scfccpv5zd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scfccpv5zd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scfccpv5zd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scfccpvdzd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scfccpvdzd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scfccpvdzd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scfccpvqzd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scfccpvqzd2h.out (added) * 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src/bin/mpqc/validate/ref/basis1_h2scfpc2augd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scfpc2augd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scfpc2augd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scfpc2d2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scfpc2d2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scfpc2d2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scfpc3augd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scfpc3augd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scfpc3augd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scfpc3d2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scfpc3d2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scfpc3d2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scfpc4augd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scfpc4augd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scfpc4augd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scfpc4d2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scfpc4d2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scfpc4d2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scfsto2gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scfsto2gd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scfsto2gd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scfsto3gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scfsto3gd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scfsto3gd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scfsto3gsd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scfsto3gsd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scfsto3gsd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_h2scfsto6gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_h2scfsto6gd2h.out (added) * src/bin/mpqc/validate/ref/basis1_h2scfsto6gd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_hescf321gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_hescf321gd2h.out (added) * src/bin/mpqc/validate/ref/basis1_hescf321gd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_hescf321gsd2h.in (added) * src/bin/mpqc/validate/ref/basis1_hescf321gsd2h.out (added) * src/bin/mpqc/validate/ref/basis1_hescf321gsd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_hescf321ppgd2h.in (added) * src/bin/mpqc/validate/ref/basis1_hescf321ppgd2h.out (added) * src/bin/mpqc/validate/ref/basis1_hescf321ppgd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_hescf321ppgsd2h.in (added) * src/bin/mpqc/validate/ref/basis1_hescf321ppgsd2h.out (added) * src/bin/mpqc/validate/ref/basis1_hescf321ppgsd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_hescf431gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_hescf431gd2h.out (added) * src/bin/mpqc/validate/ref/basis1_hescf431gd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_hescf6311gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_hescf6311gd2h.out (added) * src/bin/mpqc/validate/ref/basis1_hescf6311gd2h.qci (added) * 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src/bin/mpqc/validate/ref/basis1_hfscf321gc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscf321gc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscf321gc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscf321gsc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscf321gsc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscf321gsc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscf321ppgc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscf321ppgc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscf321ppgc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscf321ppgsc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscf321ppgsc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscf321ppgsc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscf431gc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscf431gc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscf431gc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscf6311gc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscf6311gc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscf6311gc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscf6311gsc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscf6311gsc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscf6311gsc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscf6311gssc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscf6311gssc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscf6311gssc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscf6311ppgssc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscf6311ppgssc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscf6311ppgssc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscf631gc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscf631gc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscf631gc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscf631gsc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscf631gsc2v.out (added) * 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(added) * src/bin/mpqc/validate/ref/basis1_hfscfaugccpvdzc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscfaugccpvdzc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscfaugccpvdzc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscfaugccpvqzc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscfaugccpvqzc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscfaugccpvqzc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscfaugccpvtzc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscfaugccpvtzc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscfaugccpvtzc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscfccpv5zc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscfccpv5zc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscfccpv5zc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscfccpvdzc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscfccpvdzc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscfccpvdzc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscfccpvqzc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscfccpvqzc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscfccpvqzc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscfccpvtzc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscfccpvtzc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscfccpvtzc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc0augc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc0augc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc0augc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc0c2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc0c2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc0c2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc1augc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc1augc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc1augc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc1c2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc1c2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc1c2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc2augc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc2augc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc2augc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc2c2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc2c2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc2c2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc3augc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc3augc2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc3augc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc3c2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc3c2v.out (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc3c2v.qci (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc4augc2v.in (added) * src/bin/mpqc/validate/ref/basis1_hfscfpc4augc2v.out (added) * 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src/bin/mpqc/validate/ref/basis1_lihscf321gc2v.in (added) * src/bin/mpqc/validate/ref/basis1_lihscf321gc2v.out (added) * src/bin/mpqc/validate/ref/basis1_lihscf321gc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_lihscf321gsc2v.in (added) * src/bin/mpqc/validate/ref/basis1_lihscf321gsc2v.out (added) * src/bin/mpqc/validate/ref/basis1_lihscf321gsc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_lihscf321ppgc2v.in (added) * src/bin/mpqc/validate/ref/basis1_lihscf321ppgc2v.out (added) * src/bin/mpqc/validate/ref/basis1_lihscf321ppgc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_lihscf321ppgsc2v.in (added) * src/bin/mpqc/validate/ref/basis1_lihscf321ppgsc2v.out (added) * src/bin/mpqc/validate/ref/basis1_lihscf321ppgsc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_lihscf431gc2v.in (added) * src/bin/mpqc/validate/ref/basis1_lihscf431gc2v.out (added) * src/bin/mpqc/validate/ref/basis1_lihscf431gc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_lihscf6311gc2v.in (added) * src/bin/mpqc/validate/ref/basis1_lihscf6311gc2v.out (added) * src/bin/mpqc/validate/ref/basis1_lihscf6311gc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_lihscf6311gsc2v.in (added) * src/bin/mpqc/validate/ref/basis1_lihscf6311gsc2v.out (added) * src/bin/mpqc/validate/ref/basis1_lihscf6311gsc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_lihscf6311gssc2v.in (added) * src/bin/mpqc/validate/ref/basis1_lihscf6311gssc2v.out (added) * src/bin/mpqc/validate/ref/basis1_lihscf6311gssc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_lihscf6311ppgssc2v.in (added) * src/bin/mpqc/validate/ref/basis1_lihscf6311ppgssc2v.out (added) * src/bin/mpqc/validate/ref/basis1_lihscf6311ppgssc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_lihscf631gc2v.in (added) * src/bin/mpqc/validate/ref/basis1_lihscf631gc2v.out (added) * src/bin/mpqc/validate/ref/basis1_lihscf631gc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_lihscf631gsc2v.in (added) * src/bin/mpqc/validate/ref/basis1_lihscf631gsc2v.out 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src/bin/mpqc/validate/ref/basis1_lihscfccpv5zc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_lihscfsto2gc2v.in (added) * src/bin/mpqc/validate/ref/basis1_lihscfsto2gc2v.out (added) * src/bin/mpqc/validate/ref/basis1_lihscfsto2gc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_lihscfsto3gc2v.in (added) * src/bin/mpqc/validate/ref/basis1_lihscfsto3gc2v.out (added) * src/bin/mpqc/validate/ref/basis1_lihscfsto3gc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_lihscfsto3gsc2v.in (added) * src/bin/mpqc/validate/ref/basis1_lihscfsto3gsc2v.out (added) * src/bin/mpqc/validate/ref/basis1_lihscfsto3gsc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_lihscfsto6gc2v.in (added) * src/bin/mpqc/validate/ref/basis1_lihscfsto6gc2v.out (added) * src/bin/mpqc/validate/ref/basis1_lihscfsto6gc2v.qci (added) * src/bin/mpqc/validate/ref/basis1_nescf321gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_nescf321gd2h.out (added) * src/bin/mpqc/validate/ref/basis1_nescf321gd2h.qci (added) * 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src/bin/mpqc/validate/ref/basis1_nescfccpvqzd2h.in (added) * src/bin/mpqc/validate/ref/basis1_nescfccpvqzd2h.out (added) * src/bin/mpqc/validate/ref/basis1_nescfccpvqzd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_nescfccpvtzd2h.in (added) * src/bin/mpqc/validate/ref/basis1_nescfccpvtzd2h.out (added) * src/bin/mpqc/validate/ref/basis1_nescfccpvtzd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_nescfsto2gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_nescfsto2gd2h.out (added) * src/bin/mpqc/validate/ref/basis1_nescfsto2gd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_nescfsto3gd2h.in (added) * src/bin/mpqc/validate/ref/basis1_nescfsto3gd2h.out (added) * src/bin/mpqc/validate/ref/basis1_nescfsto3gd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_nescfsto3gsd2h.in (added) * src/bin/mpqc/validate/ref/basis1_nescfsto3gsd2h.out (added) * src/bin/mpqc/validate/ref/basis1_nescfsto3gsd2h.qci (added) * src/bin/mpqc/validate/ref/basis1_nescfsto6gd2h.in (added) * 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src/bin/mpqc/validate/ref/basis1_nh3scf431gcs.qci (added) * src/bin/mpqc/validate/ref/basis1_nh3scf6311gcs.in (added) * src/bin/mpqc/validate/ref/basis1_nh3scf6311gcs.out (added) * src/bin/mpqc/validate/ref/basis1_nh3scf6311gcs.qci (added) * src/bin/mpqc/validate/ref/basis1_nh3scf6311gscs.in (added) * src/bin/mpqc/validate/ref/basis1_nh3scf6311gscs.out (added) * src/bin/mpqc/validate/ref/basis1_nh3scf6311gscs.qci (added) * src/bin/mpqc/validate/ref/basis1_nh3scf6311gsscs.in (added) * src/bin/mpqc/validate/ref/basis1_nh3scf6311gsscs.out (added) * src/bin/mpqc/validate/ref/basis1_nh3scf6311gsscs.qci (added) * src/bin/mpqc/validate/ref/basis1_nh3scf6311ppgsscs.in (added) * src/bin/mpqc/validate/ref/basis1_nh3scf6311ppgsscs.out (added) * src/bin/mpqc/validate/ref/basis1_nh3scf6311ppgsscs.qci (added) * src/bin/mpqc/validate/ref/basis1_nh3scf631gcs.in (added) * src/bin/mpqc/validate/ref/basis1_nh3scf631gcs.out (added) * src/bin/mpqc/validate/ref/basis1_nh3scf631gcs.qci (added) * 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src/bin/mpqc/validate/ref/basis2_arscfsto2gd2h.out (added) * src/bin/mpqc/validate/ref/basis2_arscfsto2gd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_arscfsto3gd2h.in (added) * src/bin/mpqc/validate/ref/basis2_arscfsto3gd2h.out (added) * src/bin/mpqc/validate/ref/basis2_arscfsto3gd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_arscfsto3gsd2h.in (added) * src/bin/mpqc/validate/ref/basis2_arscfsto3gsd2h.out (added) * src/bin/mpqc/validate/ref/basis2_arscfsto3gsd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_arscfsto6gd2h.in (added) * src/bin/mpqc/validate/ref/basis2_arscfsto6gd2h.out (added) * src/bin/mpqc/validate/ref/basis2_arscfsto6gd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_h2sscf321gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_h2sscf321gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_h2sscf321gc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_h2sscf321gsc2v.in (added) * src/bin/mpqc/validate/ref/basis2_h2sscf321gsc2v.out (added) * src/bin/mpqc/validate/ref/basis2_h2sscf321gsc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_h2sscf321ppgc2v.in (added) * src/bin/mpqc/validate/ref/basis2_h2sscf321ppgc2v.out (added) * src/bin/mpqc/validate/ref/basis2_h2sscf321ppgc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_h2sscf321ppgsc2v.in (added) * src/bin/mpqc/validate/ref/basis2_h2sscf321ppgsc2v.out (added) * src/bin/mpqc/validate/ref/basis2_h2sscf321ppgsc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_h2sscf431gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_h2sscf431gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_h2sscf431gc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_h2sscf6311gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_h2sscf6311gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_h2sscf6311gc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_h2sscf6311gsc2v.in (added) * src/bin/mpqc/validate/ref/basis2_h2sscf6311gsc2v.out (added) * src/bin/mpqc/validate/ref/basis2_h2sscf6311gsc2v.qci (added) * 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(added) * src/bin/mpqc/validate/ref/basis2_h2sscfpc0augc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_h2sscfpc0c2v.in (added) * src/bin/mpqc/validate/ref/basis2_h2sscfpc0c2v.out (added) * src/bin/mpqc/validate/ref/basis2_h2sscfpc0c2v.qci (added) * src/bin/mpqc/validate/ref/basis2_h2sscfpc1augc2v.in (added) * src/bin/mpqc/validate/ref/basis2_h2sscfpc1augc2v.out (added) * src/bin/mpqc/validate/ref/basis2_h2sscfpc1augc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_h2sscfpc1c2v.in (added) * src/bin/mpqc/validate/ref/basis2_h2sscfpc1c2v.out (added) * src/bin/mpqc/validate/ref/basis2_h2sscfpc1c2v.qci (added) * src/bin/mpqc/validate/ref/basis2_h2sscfpc2augc2v.in (added) * src/bin/mpqc/validate/ref/basis2_h2sscfpc2augc2v.out (added) * src/bin/mpqc/validate/ref/basis2_h2sscfpc2augc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_h2sscfpc2c2v.in (added) * src/bin/mpqc/validate/ref/basis2_h2sscfpc2c2v.out (added) * src/bin/mpqc/validate/ref/basis2_h2sscfpc2c2v.qci (added) * 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src/bin/mpqc/validate/ref/basis2_hclscfpc3c2v.in (added) * src/bin/mpqc/validate/ref/basis2_hclscfpc3c2v.out (added) * src/bin/mpqc/validate/ref/basis2_hclscfpc3c2v.qci (added) * src/bin/mpqc/validate/ref/basis2_hclscfpc4augc2v.in (added) * src/bin/mpqc/validate/ref/basis2_hclscfpc4augc2v.out (added) * src/bin/mpqc/validate/ref/basis2_hclscfpc4augc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_hclscfpc4c2v.in (added) * src/bin/mpqc/validate/ref/basis2_hclscfpc4c2v.out (added) * src/bin/mpqc/validate/ref/basis2_hclscfpc4c2v.qci (added) * src/bin/mpqc/validate/ref/basis2_hclscfsto2gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_hclscfsto2gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_hclscfsto2gc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_hclscfsto3gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_hclscfsto3gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_hclscfsto3gc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_hclscfsto3gsc2v.in (added) * src/bin/mpqc/validate/ref/basis2_hclscfsto3gsc2v.out (added) * src/bin/mpqc/validate/ref/basis2_hclscfsto3gsc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_hclscfsto6gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_hclscfsto6gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_hclscfsto6gc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf321gd2h.in (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf321gd2h.out (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf321gd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf321gsd2h.in (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf321gsd2h.out (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf321gsd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf321ppgd2h.in (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf321ppgd2h.out (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf321ppgd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf321ppgsd2h.in (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf321ppgsd2h.out (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf321ppgsd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf6311gd2h.in (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf6311gd2h.out (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf6311gd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf6311gsd2h.in (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf6311gsd2h.out (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf6311gsd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf6311gssd2h.in (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf6311gssd2h.out (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf6311gssd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631gd2h.in (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631gd2h.out (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631gd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631gsd2h.in (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631gsd2h.out (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631gsd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631gssd2h.in (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631gssd2h.out (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631gssd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgd2h.in (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgd2h.out (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgsd2h.in (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgsd2h.out (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgsd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgssd2h.in (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgssd2h.out (added) * src/bin/mpqc/validate/ref/basis2_mgh2scf631ppgssd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_mgh2scfsto2gd2h.in (added) * src/bin/mpqc/validate/ref/basis2_mgh2scfsto2gd2h.out (added) * src/bin/mpqc/validate/ref/basis2_mgh2scfsto2gd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_mgh2scfsto3gd2h.in (added) * src/bin/mpqc/validate/ref/basis2_mgh2scfsto3gd2h.out (added) * src/bin/mpqc/validate/ref/basis2_mgh2scfsto3gd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_mgh2scfsto3gsd2h.in (added) * src/bin/mpqc/validate/ref/basis2_mgh2scfsto3gsd2h.out (added) * src/bin/mpqc/validate/ref/basis2_mgh2scfsto3gsd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_mgh2scfsto6gd2h.in (added) * src/bin/mpqc/validate/ref/basis2_mgh2scfsto6gd2h.out (added) * src/bin/mpqc/validate/ref/basis2_mgh2scfsto6gd2h.qci (added) * src/bin/mpqc/validate/ref/basis2_nahscf321gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_nahscf321gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_nahscf321gc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_nahscf321gsc2v.in (added) * src/bin/mpqc/validate/ref/basis2_nahscf321gsc2v.out (added) * src/bin/mpqc/validate/ref/basis2_nahscf321gsc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_nahscf321ppgc2v.in (added) * src/bin/mpqc/validate/ref/basis2_nahscf321ppgc2v.out (added) * src/bin/mpqc/validate/ref/basis2_nahscf321ppgc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_nahscf321ppgsc2v.in (added) * src/bin/mpqc/validate/ref/basis2_nahscf321ppgsc2v.out (added) * src/bin/mpqc/validate/ref/basis2_nahscf321ppgsc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_nahscf6311gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_nahscf6311gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_nahscf6311gc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_nahscf6311gsc2v.in (added) * src/bin/mpqc/validate/ref/basis2_nahscf6311gsc2v.out (added) * src/bin/mpqc/validate/ref/basis2_nahscf6311gsc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_nahscf6311gssc2v.in (added) * src/bin/mpqc/validate/ref/basis2_nahscf6311gssc2v.out (added) * src/bin/mpqc/validate/ref/basis2_nahscf6311gssc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_nahscf631gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_nahscf631gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_nahscf631gc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_nahscf631gsc2v.in (added) * src/bin/mpqc/validate/ref/basis2_nahscf631gsc2v.out (added) * src/bin/mpqc/validate/ref/basis2_nahscf631gsc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_nahscf631gssc2v.in (added) * src/bin/mpqc/validate/ref/basis2_nahscf631gssc2v.out (added) * src/bin/mpqc/validate/ref/basis2_nahscf631gssc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_nahscf631ppgc2v.in (added) * src/bin/mpqc/validate/ref/basis2_nahscf631ppgc2v.out (added) * src/bin/mpqc/validate/ref/basis2_nahscf631ppgc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_nahscf631ppgsc2v.in (added) * src/bin/mpqc/validate/ref/basis2_nahscf631ppgsc2v.out (added) * src/bin/mpqc/validate/ref/basis2_nahscf631ppgsc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_nahscf631ppgssc2v.in (added) * src/bin/mpqc/validate/ref/basis2_nahscf631ppgssc2v.out (added) * src/bin/mpqc/validate/ref/basis2_nahscf631ppgssc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_nahscfsto2gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_nahscfsto2gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_nahscfsto2gc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_nahscfsto3gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_nahscfsto3gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_nahscfsto3gc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_nahscfsto3gsc2v.in (added) * src/bin/mpqc/validate/ref/basis2_nahscfsto3gsc2v.out (added) * src/bin/mpqc/validate/ref/basis2_nahscfsto3gsc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_nahscfsto6gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_nahscfsto6gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_nahscfsto6gc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scf321gcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scf321gcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scf321gcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scf321gscs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scf321gscs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scf321gscs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scf321ppgcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scf321ppgcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scf321ppgcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scf321ppgscs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scf321ppgscs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scf321ppgscs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scf431gcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scf431gcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scf431gcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scf6311gcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scf6311gcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scf6311gcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scf6311gscs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scf6311gscs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scf6311gscs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scf6311gsscs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scf6311gsscs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scf6311gsscs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631gcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631gcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631gcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631gscs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631gscs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631gscs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631gsscs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631gsscs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631gsscs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631ppgcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631ppgcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631ppgcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631ppgscs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631ppgscs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631ppgscs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631ppgsscs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631ppgsscs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scf631ppgsscs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfaugccpv5zcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfaugccpv5zcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfaugccpv5zcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvdzcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvdzcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvdzcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvqzcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvqzcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvqzcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvtzcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvtzcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfaugccpvtzcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfccpv5zcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfccpv5zcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfccpv5zcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfccpvdzcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfccpvdzcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfccpvdzcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfccpvqzcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfccpvqzcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfccpvqzcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfccpvtzcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfccpvtzcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfccpvtzcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc0augcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc0augcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc0augcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc0cs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc0cs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc0cs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc1augcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc1augcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc1augcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc1cs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc1cs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc1cs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc2augcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc2augcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc2augcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc2cs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc2cs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc2cs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc3augcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc3augcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc3augcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc3cs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc3cs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc3cs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc4augcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc4augcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc4augcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc4cs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc4cs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfpc4cs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfsto2gcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfsto2gcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfsto2gcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfsto3gcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfsto3gcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfsto3gcs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfsto3gscs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfsto3gscs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfsto3gscs.qci (added) * src/bin/mpqc/validate/ref/basis2_ph3scfsto6gcs.in (added) * src/bin/mpqc/validate/ref/basis2_ph3scfsto6gcs.out (added) * src/bin/mpqc/validate/ref/basis2_ph3scfsto6gcs.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scf321gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scf321gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scf321gc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scf321gsc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scf321gsc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scf321gsc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scf321ppgc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scf321ppgc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scf321ppgc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scf321ppgsc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scf321ppgsc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scf321ppgsc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scf6311gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scf6311gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scf6311gc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scf6311gsc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scf6311gsc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scf6311gsc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scf6311gssc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scf6311gssc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scf6311gssc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631gc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631gsc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631gsc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631gsc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631gssc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631gssc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631gssc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631ppgc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631ppgc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631ppgc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631ppgsc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631ppgsc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631ppgsc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631ppgssc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631ppgssc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scf631ppgssc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfaugccpv5zc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfaugccpv5zc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfaugccpv5zc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvdzc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvdzc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvdzc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvqzc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvqzc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvqzc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvtzc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvtzc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfaugccpvtzc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfccpv5zc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfccpv5zc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfccpv5zc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfccpvdzc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfccpvdzc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfccpvdzc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfccpvqzc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfccpvqzc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfccpvqzc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfccpvtzc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfccpvtzc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfccpvtzc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc0augc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc0augc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc0augc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc0c2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc0c2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc0c2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc1augc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc1augc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc1augc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc1c2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc1c2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc1c2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc2augc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc2augc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc2augc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc2c2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc2c2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc2c2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc3augc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc3augc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc3augc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc3c2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc3c2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc3c2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc4augc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc4augc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc4augc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc4c2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc4c2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfpc4c2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfsto2gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfsto2gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfsto2gc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfsto3gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfsto3gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfsto3gc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfsto3gsc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfsto3gsc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfsto3gsc2v.qci (added) * src/bin/mpqc/validate/ref/basis2_sih2scfsto6gc2v.in (added) * src/bin/mpqc/validate/ref/basis2_sih2scfsto6gc2v.out (added) * src/bin/mpqc/validate/ref/basis2_sih2scfsto6gc2v.qci (added) * src/bin/mpqc/validate/ref/ccacints_scfccpvdzc2varraycints.in (added) * src/bin/mpqc/validate/ref/ccacints_scfccpvdzc2varraycints.out (added) * src/bin/mpqc/validate/ref/ccacints_scfccpvdzc2varraycints.qci (added) * src/bin/mpqc/validate/ref/ccacints_scfccpvdzc2vopaquecints.in (added) * src/bin/mpqc/validate/ref/ccacints_scfccpvdzc2vopaquecints.out (added) * src/bin/mpqc/validate/ref/ccacints_scfccpvdzc2vopaquecints.qci (added) * src/bin/mpqc/validate/ref/ccafe_h2o.xyz (added) * src/bin/mpqc/validate/ref/ccafe_h2oscfgradccpvtz (added) * src/bin/mpqc/validate/ref/ccafe_h2oscfgradccpvtz.out (added) * src/bin/mpqc/validate/ref/ccafe_h2oscfgradccpvtz.results (added) * src/bin/mpqc/validate/ref/ccafe_h2oscfsto3g (added) * src/bin/mpqc/validate/ref/ccafe_h2oscfsto3g.out (added) * src/bin/mpqc/validate/ref/ccafe_h2oscfsto3g.results (added) * src/bin/mpqc/validate/ref/ccaintv3_scfccpvtzc2varrayintv3.in (added) * src/bin/mpqc/validate/ref/ccaintv3_scfccpvtzc2varrayintv3.out (added) * src/bin/mpqc/validate/ref/ccaintv3_scfccpvtzc2varrayintv3.qci (added) * src/bin/mpqc/validate/ref/ccaintv3_scfccpvtzc2vopaqueintv3.in (added) * src/bin/mpqc/validate/ref/ccaintv3_scfccpvtzc2vopaqueintv3.out (added) * src/bin/mpqc/validate/ref/ccaintv3_scfccpvtzc2vopaqueintv3.qci (added) * src/bin/mpqc/validate/ref/ccaintv3_scfsto3gc2varrayintv3.in (added) * src/bin/mpqc/validate/ref/ccaintv3_scfsto3gc2varrayintv3.out (added) * src/bin/mpqc/validate/ref/ccaintv3_scfsto3gc2varrayintv3.qci (added) * src/bin/mpqc/validate/ref/ccaintv3_scfsto3gc2vopaqueintv3.in (added) * src/bin/mpqc/validate/ref/ccaintv3_scfsto3gc2vopaqueintv3.out (added) * src/bin/mpqc/validate/ref/ccaintv3_scfsto3gc2vopaqueintv3.qci (added) * src/bin/mpqc/validate/ref/ckpt_0clksb3lyp.in (added) * src/bin/mpqc/validate/ref/ckpt_0clksb3lyp.out (added) * src/bin/mpqc/validate/ref/ckpt_0clksb3lyp.qci (added) * src/bin/mpqc/validate/ref/ckpt_0clksbp86.in (added) * src/bin/mpqc/validate/ref/ckpt_0clksbp86.out (added) * src/bin/mpqc/validate/ref/ckpt_0clksbp86.qci (added) * src/bin/mpqc/validate/ref/ckpt_0clkshfg96.in (added) * src/bin/mpqc/validate/ref/ckpt_0clkshfg96.out (added) * src/bin/mpqc/validate/ref/ckpt_0clkshfg96.qci (added) * src/bin/mpqc/validate/ref/ckpt_0clkskmlyp.in (added) * src/bin/mpqc/validate/ref/ckpt_0clkskmlyp.out (added) * src/bin/mpqc/validate/ref/ckpt_0clkskmlyp.qci (added) * src/bin/mpqc/validate/ref/ckpt_0clksmpwpw91.in (added) * src/bin/mpqc/validate/ref/ckpt_0clksmpwpw91.out (added) * src/bin/mpqc/validate/ref/ckpt_0clksmpwpw91.qci (added) * src/bin/mpqc/validate/ref/ckpt_0clkspbe.in (added) * src/bin/mpqc/validate/ref/ckpt_0clkspbe.out (added) * src/bin/mpqc/validate/ref/ckpt_0clkspbe.qci (added) * src/bin/mpqc/validate/ref/ckpt_0clkspw91.in (added) * src/bin/mpqc/validate/ref/ckpt_0clkspw91.out (added) * src/bin/mpqc/validate/ref/ckpt_0clkspw91.qci (added) * src/bin/mpqc/validate/ref/ckpt_0clksspz81.in (added) * src/bin/mpqc/validate/ref/ckpt_0clksspz81.out (added) * src/bin/mpqc/validate/ref/ckpt_0clksspz81.qci (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn1.in (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn1.out (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn1.qci (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn1rpa.in (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn1rpa.out (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn1rpa.qci (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn2.in (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn2.out (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn2.qci (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn3.in (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn3.out (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn3.qci (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn4.in (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn4.out (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn4.qci (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn5.in (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn5.out (added) * src/bin/mpqc/validate/ref/ckpt_0clkssvwn5.qci (added) * src/bin/mpqc/validate/ref/ckpt_0clksxalpha.in (added) * src/bin/mpqc/validate/ref/ckpt_0clksxalpha.out (added) * src/bin/mpqc/validate/ref/ckpt_0clksxalpha.qci (added) * src/bin/mpqc/validate/ref/ckpt_0clscf.in (added) * src/bin/mpqc/validate/ref/ckpt_0clscf.out (added) * src/bin/mpqc/validate/ref/ckpt_0clscf.qci (added) * src/bin/mpqc/validate/ref/ckpt_0efcopt.in (added) * src/bin/mpqc/validate/ref/ckpt_0efcopt.out (added) * src/bin/mpqc/validate/ref/ckpt_0efcopt.qci (added) * src/bin/mpqc/validate/ref/ckpt_0hsosksxalpha.in (added) * src/bin/mpqc/validate/ref/ckpt_0hsosksxalpha.out (added) * src/bin/mpqc/validate/ref/ckpt_0hsosksxalpha.qci (added) * src/bin/mpqc/validate/ref/ckpt_0hsosscf.in (added) * src/bin/mpqc/validate/ref/ckpt_0hsosscf.out (added) * src/bin/mpqc/validate/ref/ckpt_0hsosscf.qci (added) * src/bin/mpqc/validate/ref/ckpt_0mp2.in (added) * src/bin/mpqc/validate/ref/ckpt_0mp2.out (added) * src/bin/mpqc/validate/ref/ckpt_0mp2.qci (added) * src/bin/mpqc/validate/ref/ckpt_0qnewtopt.in (added) * src/bin/mpqc/validate/ref/ckpt_0qnewtopt.out (added) * src/bin/mpqc/validate/ref/ckpt_0qnewtopt.qci (added) * src/bin/mpqc/validate/ref/ckpt_0uksxalpha.in (added) * src/bin/mpqc/validate/ref/ckpt_0uksxalpha.out (added) * src/bin/mpqc/validate/ref/ckpt_0uksxalpha.qci (added) * src/bin/mpqc/validate/ref/ckpt_0zapt2.in (added) * src/bin/mpqc/validate/ref/ckpt_0zapt2.out (added) * src/bin/mpqc/validate/ref/ckpt_0zapt2.qci (added) * src/bin/mpqc/validate/ref/ckpt_1clksb3lyp.in (added) * src/bin/mpqc/validate/ref/ckpt_1clksb3lyp.out (added) * src/bin/mpqc/validate/ref/ckpt_1clksb3lyp.qci (added) * src/bin/mpqc/validate/ref/ckpt_1clksbp86.in (added) * src/bin/mpqc/validate/ref/ckpt_1clksbp86.out (added) * src/bin/mpqc/validate/ref/ckpt_1clksbp86.qci (added) * src/bin/mpqc/validate/ref/ckpt_1clkshfg96.in (added) * src/bin/mpqc/validate/ref/ckpt_1clkshfg96.out (added) * src/bin/mpqc/validate/ref/ckpt_1clkshfg96.qci (added) * src/bin/mpqc/validate/ref/ckpt_1clkskmlyp.in (added) * src/bin/mpqc/validate/ref/ckpt_1clkskmlyp.out (added) * src/bin/mpqc/validate/ref/ckpt_1clkskmlyp.qci (added) * src/bin/mpqc/validate/ref/ckpt_1clksmpwpw91.in (added) * src/bin/mpqc/validate/ref/ckpt_1clksmpwpw91.out (added) * src/bin/mpqc/validate/ref/ckpt_1clksmpwpw91.qci (added) * src/bin/mpqc/validate/ref/ckpt_1clkspbe.in (added) * src/bin/mpqc/validate/ref/ckpt_1clkspbe.out (added) * src/bin/mpqc/validate/ref/ckpt_1clkspbe.qci (added) * src/bin/mpqc/validate/ref/ckpt_1clkspw91.in (added) * src/bin/mpqc/validate/ref/ckpt_1clkspw91.out (added) * src/bin/mpqc/validate/ref/ckpt_1clkspw91.qci (added) * src/bin/mpqc/validate/ref/ckpt_1clksspz81.in (added) * src/bin/mpqc/validate/ref/ckpt_1clksspz81.out (added) * src/bin/mpqc/validate/ref/ckpt_1clksspz81.qci (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn1.in (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn1.out (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn1.qci (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn1rpa.in (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn1rpa.out (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn1rpa.qci (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn2.in (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn2.out (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn2.qci (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn3.in (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn3.out (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn3.qci (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn4.in (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn4.out (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn4.qci (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn5.in (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn5.out (added) * src/bin/mpqc/validate/ref/ckpt_1clkssvwn5.qci (added) * src/bin/mpqc/validate/ref/ckpt_1clksxalpha.in (added) * src/bin/mpqc/validate/ref/ckpt_1clksxalpha.out (added) * src/bin/mpqc/validate/ref/ckpt_1clksxalpha.qci (added) * src/bin/mpqc/validate/ref/ckpt_1clscf.in (added) * src/bin/mpqc/validate/ref/ckpt_1clscf.out (added) * src/bin/mpqc/validate/ref/ckpt_1clscf.qci (added) * src/bin/mpqc/validate/ref/ckpt_1efcopt.in (added) * src/bin/mpqc/validate/ref/ckpt_1efcopt.out (added) * src/bin/mpqc/validate/ref/ckpt_1efcopt.qci (added) * src/bin/mpqc/validate/ref/ckpt_1hsosksxalpha.in (added) * src/bin/mpqc/validate/ref/ckpt_1hsosksxalpha.out (added) * src/bin/mpqc/validate/ref/ckpt_1hsosksxalpha.qci (added) * src/bin/mpqc/validate/ref/ckpt_1hsosscf.in (added) * src/bin/mpqc/validate/ref/ckpt_1hsosscf.out (added) * src/bin/mpqc/validate/ref/ckpt_1hsosscf.qci (added) * src/bin/mpqc/validate/ref/ckpt_1mp2.in (added) * src/bin/mpqc/validate/ref/ckpt_1mp2.out (added) * src/bin/mpqc/validate/ref/ckpt_1mp2.qci (added) * src/bin/mpqc/validate/ref/ckpt_1qnewtopt.in (added) * src/bin/mpqc/validate/ref/ckpt_1qnewtopt.out (added) * src/bin/mpqc/validate/ref/ckpt_1qnewtopt.qci (added) * src/bin/mpqc/validate/ref/ckpt_1uksxalpha.in (added) * src/bin/mpqc/validate/ref/ckpt_1uksxalpha.out (added) * src/bin/mpqc/validate/ref/ckpt_1uksxalpha.qci (added) * src/bin/mpqc/validate/ref/ckpt_1zapt2.in (added) * src/bin/mpqc/validate/ref/ckpt_1zapt2.out (added) * src/bin/mpqc/validate/ref/ckpt_1zapt2.qci (added) * src/bin/mpqc/validate/ref/ckpt_2efcopt.in (added) * src/bin/mpqc/validate/ref/ckpt_2efcopt.out (added) * src/bin/mpqc/validate/ref/ckpt_2efcopt.qci (added) * src/bin/mpqc/validate/ref/ckpt_2qnewtopt.in (added) * src/bin/mpqc/validate/ref/ckpt_2qnewtopt.out (added) * src/bin/mpqc/validate/ref/ckpt_2qnewtopt.qci (added) * src/bin/mpqc/validate/ref/ckpt_clksb3lyp.in (added) * src/bin/mpqc/validate/ref/ckpt_clksb3lyp.out (added) * src/bin/mpqc/validate/ref/ckpt_clksb3lyp.qci (added) * src/bin/mpqc/validate/ref/ckpt_clksbp86.in (added) * src/bin/mpqc/validate/ref/ckpt_clksbp86.out (added) * src/bin/mpqc/validate/ref/ckpt_clksbp86.qci (added) * src/bin/mpqc/validate/ref/ckpt_clkshfg96.in (added) * src/bin/mpqc/validate/ref/ckpt_clkshfg96.out (added) * src/bin/mpqc/validate/ref/ckpt_clkshfg96.qci (added) * src/bin/mpqc/validate/ref/ckpt_clkskmlyp.in (added) * src/bin/mpqc/validate/ref/ckpt_clkskmlyp.out (added) * src/bin/mpqc/validate/ref/ckpt_clkskmlyp.qci (added) * src/bin/mpqc/validate/ref/ckpt_clksmpwpw91.in (added) * src/bin/mpqc/validate/ref/ckpt_clksmpwpw91.out (added) * src/bin/mpqc/validate/ref/ckpt_clksmpwpw91.qci (added) * src/bin/mpqc/validate/ref/ckpt_clkspbe.in (added) * src/bin/mpqc/validate/ref/ckpt_clkspbe.out (added) * src/bin/mpqc/validate/ref/ckpt_clkspbe.qci (added) * src/bin/mpqc/validate/ref/ckpt_clkspw91.in (added) * src/bin/mpqc/validate/ref/ckpt_clkspw91.out (added) * src/bin/mpqc/validate/ref/ckpt_clkspw91.qci (added) * src/bin/mpqc/validate/ref/ckpt_clksspz81.in (added) * src/bin/mpqc/validate/ref/ckpt_clksspz81.out (added) * src/bin/mpqc/validate/ref/ckpt_clksspz81.qci (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn1.in (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn1.out (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn1.qci (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn1rpa.in (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn1rpa.out (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn1rpa.qci (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn2.in (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn2.out (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn2.qci (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn3.in (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn3.out (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn3.qci (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn4.in (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn4.out (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn4.qci (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn5.in (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn5.out (added) * src/bin/mpqc/validate/ref/ckpt_clkssvwn5.qci (added) * src/bin/mpqc/validate/ref/ckpt_clksxalpha.in (added) * src/bin/mpqc/validate/ref/ckpt_clksxalpha.out (added) * src/bin/mpqc/validate/ref/ckpt_clksxalpha.qci (added) * src/bin/mpqc/validate/ref/ckpt_clscf.in (added) * src/bin/mpqc/validate/ref/ckpt_clscf.out (added) * src/bin/mpqc/validate/ref/ckpt_clscf.qci (added) * src/bin/mpqc/validate/ref/ckpt_efcopt.in (added) * src/bin/mpqc/validate/ref/ckpt_efcopt.out (added) * 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* src/bin/mpqc/validate/ref/clscf_h2ospz81sto3gc1.qci (added) * src/bin/mpqc/validate/ref/clscf_h2ospz81sto3gc2v.in (added) * src/bin/mpqc/validate/ref/clscf_h2ospz81sto3gc2v.out (added) * src/bin/mpqc/validate/ref/clscf_h2ospz81sto3gc2v.qci (added) * src/bin/mpqc/validate/ref/clscf_h2oxalpha6311gssc1.in (added) * src/bin/mpqc/validate/ref/clscf_h2oxalpha6311gssc1.out (added) * src/bin/mpqc/validate/ref/clscf_h2oxalpha6311gssc1.qci (added) * src/bin/mpqc/validate/ref/clscf_h2oxalpha6311gssc2v.in (added) * src/bin/mpqc/validate/ref/clscf_h2oxalpha6311gssc2v.out (added) * src/bin/mpqc/validate/ref/clscf_h2oxalpha6311gssc2v.qci (added) * src/bin/mpqc/validate/ref/clscf_h2oxalphasto3gc1.in (added) * src/bin/mpqc/validate/ref/clscf_h2oxalphasto3gc1.out (added) * src/bin/mpqc/validate/ref/clscf_h2oxalphasto3gc1.qci (added) * src/bin/mpqc/validate/ref/clscf_h2oxalphasto3gc2v.in (added) * src/bin/mpqc/validate/ref/clscf_h2oxalphasto3gc2v.out (added) * src/bin/mpqc/validate/ref/clscf_h2oxalphasto3gc2v.qci (added) * src/bin/mpqc/validate/ref/dft_alhhfs631gsc2v.in (added) * src/bin/mpqc/validate/ref/dft_alhhfs631gsc2v.out (added) * src/bin/mpqc/validate/ref/dft_alhhfs631gsc2v.qci (added) * src/bin/mpqc/validate/ref/dft_alhhfsultrafine631gsc2v.in (added) * src/bin/mpqc/validate/ref/dft_alhhfsultrafine631gsc2v.out (added) * src/bin/mpqc/validate/ref/dft_alhhfsultrafine631gsc2v.qci (added) * src/bin/mpqc/validate/ref/dft_b2h6hfs631gsauto.in (added) * src/bin/mpqc/validate/ref/dft_b2h6hfs631gsauto.out (added) * src/bin/mpqc/validate/ref/dft_b2h6hfs631gsauto.qci (added) * src/bin/mpqc/validate/ref/dft_b2h6hfsultrafine631gsauto.in (added) * src/bin/mpqc/validate/ref/dft_b2h6hfsultrafine631gsauto.out (added) * src/bin/mpqc/validate/ref/dft_b2h6hfsultrafine631gsauto.qci (added) * src/bin/mpqc/validate/ref/dft_beh2hfs631gsauto.in (added) * src/bin/mpqc/validate/ref/dft_beh2hfs631gsauto.out (added) * src/bin/mpqc/validate/ref/dft_beh2hfs631gsauto.qci (added) * src/bin/mpqc/validate/ref/dft_beh2hfsultrafine631gsauto.in (added) * src/bin/mpqc/validate/ref/dft_beh2hfsultrafine631gsauto.out (added) * src/bin/mpqc/validate/ref/dft_beh2hfsultrafine631gsauto.qci (added) * src/bin/mpqc/validate/ref/dft_c2h2hfs631gsauto.in (added) * src/bin/mpqc/validate/ref/dft_c2h2hfs631gsauto.out (added) * src/bin/mpqc/validate/ref/dft_c2h2hfs631gsauto.qci (added) * src/bin/mpqc/validate/ref/dft_c2h2hfsultrafine631gsauto.in (added) * src/bin/mpqc/validate/ref/dft_c2h2hfsultrafine631gsauto.out (added) * src/bin/mpqc/validate/ref/dft_c2h2hfsultrafine631gsauto.qci (added) * src/bin/mpqc/validate/ref/dft_c2h4hfs631gsauto.in (added) * src/bin/mpqc/validate/ref/dft_c2h4hfs631gsauto.out (added) * src/bin/mpqc/validate/ref/dft_c2h4hfs631gsauto.qci (added) * src/bin/mpqc/validate/ref/dft_c2h4hfsultrafine631gsauto.in (added) * src/bin/mpqc/validate/ref/dft_c2h4hfsultrafine631gsauto.out (added) * src/bin/mpqc/validate/ref/dft_c2h4hfsultrafine631gsauto.qci (added) * src/bin/mpqc/validate/ref/dft_ch4hfs631gsauto.in (added) * src/bin/mpqc/validate/ref/dft_ch4hfs631gsauto.out (added) * src/bin/mpqc/validate/ref/dft_ch4hfs631gsauto.qci (added) * src/bin/mpqc/validate/ref/dft_ch4hfsultrafine631gsauto.in (added) * src/bin/mpqc/validate/ref/dft_ch4hfsultrafine631gsauto.out (added) * src/bin/mpqc/validate/ref/dft_ch4hfsultrafine631gsauto.qci (added) * src/bin/mpqc/validate/ref/dft_h2hfs631gsauto.in (added) * src/bin/mpqc/validate/ref/dft_h2hfs631gsauto.out (added) * src/bin/mpqc/validate/ref/dft_h2hfs631gsauto.qci (added) * src/bin/mpqc/validate/ref/dft_h2hfsultrafine631gsauto.in (added) * src/bin/mpqc/validate/ref/dft_h2hfsultrafine631gsauto.out (added) * src/bin/mpqc/validate/ref/dft_h2hfsultrafine631gsauto.qci (added) * src/bin/mpqc/validate/ref/dft_h2ohfs631gsauto.in (added) * src/bin/mpqc/validate/ref/dft_h2ohfs631gsauto.out (added) * 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(added) * src/bin/mpqc/validate/ref/dft_mgh2hfsultrafine631gsd2h.in (added) * src/bin/mpqc/validate/ref/dft_mgh2hfsultrafine631gsd2h.out (added) * src/bin/mpqc/validate/ref/dft_mgh2hfsultrafine631gsd2h.qci (added) * src/bin/mpqc/validate/ref/dft_nahhfs631gsc2v.in (added) * src/bin/mpqc/validate/ref/dft_nahhfs631gsc2v.out (added) * src/bin/mpqc/validate/ref/dft_nahhfs631gsc2v.qci (added) * src/bin/mpqc/validate/ref/dft_nahhfsultrafine631gsc2v.in (added) * src/bin/mpqc/validate/ref/dft_nahhfsultrafine631gsc2v.out (added) * src/bin/mpqc/validate/ref/dft_nahhfsultrafine631gsc2v.qci (added) * src/bin/mpqc/validate/ref/dft_nh3hfs631gsauto.in (added) * src/bin/mpqc/validate/ref/dft_nh3hfs631gsauto.out (added) * src/bin/mpqc/validate/ref/dft_nh3hfs631gsauto.qci (added) * src/bin/mpqc/validate/ref/dft_nh3hfsultrafine631gsauto.in (added) * src/bin/mpqc/validate/ref/dft_nh3hfsultrafine631gsauto.out (added) * src/bin/mpqc/validate/ref/dft_nh3hfsultrafine631gsauto.qci (added) * 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src/bin/mpqc/validate/ref/hsosscf_h2ohsospbesto3gc2v.in (added) * src/bin/mpqc/validate/ref/hsosscf_h2ohsospbesto3gc2v.out (added) * src/bin/mpqc/validate/ref/hsosscf_h2ohsospbesto3gc2v.qci (added) * src/bin/mpqc/validate/ref/hsosscf_h2ohsospw916311gssc2v.in (added) * src/bin/mpqc/validate/ref/hsosscf_h2ohsospw916311gssc2v.out (added) * src/bin/mpqc/validate/ref/hsosscf_h2ohsospw916311gssc2v.qci (added) * src/bin/mpqc/validate/ref/hsosscf_h2ohsospw91sto3gc2v.in (added) * src/bin/mpqc/validate/ref/hsosscf_h2ohsospw91sto3gc2v.out (added) * src/bin/mpqc/validate/ref/hsosscf_h2ohsospw91sto3gc2v.qci (added) * src/bin/mpqc/validate/ref/hsosscf_h2ohsosspz816311gssc2v.in (added) * src/bin/mpqc/validate/ref/hsosscf_h2ohsosspz816311gssc2v.out (added) * src/bin/mpqc/validate/ref/hsosscf_h2ohsosspz816311gssc2v.qci (added) * src/bin/mpqc/validate/ref/hsosscf_h2ohsosspz81sto3gc2v.in (added) * src/bin/mpqc/validate/ref/hsosscf_h2ohsosspz81sto3gc2v.out (added) * 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src/bin/mpqc/validate/ref/input_ksh2o.in (added) * src/bin/mpqc/validate/ref/input_ksh2o.out (added) * src/bin/mpqc/validate/ref/input_ksh2o.qci (added) * src/bin/mpqc/validate/ref/input_ksh2oco.in (added) * src/bin/mpqc/validate/ref/input_ksh2oco.out (added) * src/bin/mpqc/validate/ref/input_ksh2oco.qci (added) * src/bin/mpqc/validate/ref/input_mp2h2o.in (added) * src/bin/mpqc/validate/ref/input_mp2h2o.out (added) * src/bin/mpqc/validate/ref/input_mp2h2o.qci (added) * src/bin/mpqc/validate/ref/input_mp2r12ah2o.in (added) * src/bin/mpqc/validate/ref/input_mp2r12ah2o.out (added) * src/bin/mpqc/validate/ref/input_mp2r12ah2o.qci (added) * src/bin/mpqc/validate/ref/input_mp2r12aph2o.in (added) * src/bin/mpqc/validate/ref/input_mp2r12aph2o.out (added) * src/bin/mpqc/validate/ref/input_mp2r12aph2o.qci (added) * src/bin/mpqc/validate/ref/input_rhfch2opt.in (added) * src/bin/mpqc/validate/ref/input_rhfch2opt.out (added) * src/bin/mpqc/validate/ref/input_rhfch2opt.qci (added) * src/bin/mpqc/validate/ref/input_rksch2.in (added) * src/bin/mpqc/validate/ref/input_rksch2.out (added) * src/bin/mpqc/validate/ref/input_rksch2.qci (added) * src/bin/mpqc/validate/ref/input_uhfch2opt.in (added) * src/bin/mpqc/validate/ref/input_uhfch2opt.out (added) * src/bin/mpqc/validate/ref/input_uhfch2opt.qci (added) * src/bin/mpqc/validate/ref/input_uksch2.in (added) * src/bin/mpqc/validate/ref/input_uksch2.out (added) * src/bin/mpqc/validate/ref/input_uksch2.qci (added) * src/bin/mpqc/validate/ref/input_zapt2ch2.in (added) * src/bin/mpqc/validate/ref/input_zapt2ch2.out (added) * src/bin/mpqc/validate/ref/input_zapt2ch2.qci (added) * src/bin/mpqc/validate/ref/mbpt_mp2mem.in (added) * src/bin/mpqc/validate/ref/mbpt_mp2mem.out (added) * src/bin/mpqc/validate/ref/mbpt_mp2mem.qci (added) * src/bin/mpqc/validate/ref/mbpt_mp2mem_auto.in (added) * src/bin/mpqc/validate/ref/mbpt_mp2mem_auto.out (added) * src/bin/mpqc/validate/ref/mbpt_mp2mem_auto.qci (added) * 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(added) * src/bin/mpqc/validate/ref/methods_qmmm2.in (added) * src/bin/mpqc/validate/ref/methods_qmmm2.out (added) * src/bin/mpqc/validate/ref/methods_qmmm2.qci (added) * src/bin/mpqc/validate/ref/methods_tchf.in (added) * src/bin/mpqc/validate/ref/methods_tchf.out (added) * src/bin/mpqc/validate/ref/methods_tchf.qci (added) * src/bin/mpqc/validate/ref/methods_uhf.in (added) * src/bin/mpqc/validate/ref/methods_uhf.out (added) * src/bin/mpqc/validate/ref/methods_uhf.qci (added) * src/bin/mpqc/validate/ref/methods_uks_b3lyp.in (added) * src/bin/mpqc/validate/ref/methods_uks_b3lyp.out (added) * src/bin/mpqc/validate/ref/methods_uks_b3lyp.qci (added) * src/bin/mpqc/validate/ref/methods_uks_b88.in (added) * src/bin/mpqc/validate/ref/methods_uks_b88.out (added) * src/bin/mpqc/validate/ref/methods_uks_b88.qci (added) * src/bin/mpqc/validate/ref/methods_uks_blyp.in (added) * src/bin/mpqc/validate/ref/methods_uks_blyp.out (added) * src/bin/mpqc/validate/ref/methods_uks_blyp.qci (added) * src/bin/mpqc/validate/ref/methods_uks_kmlyp.in (added) * src/bin/mpqc/validate/ref/methods_uks_kmlyp.out (added) * src/bin/mpqc/validate/ref/methods_uks_kmlyp.qci (added) * src/bin/mpqc/validate/ref/methods_uks_lsdax.in (added) * src/bin/mpqc/validate/ref/methods_uks_lsdax.out (added) * src/bin/mpqc/validate/ref/methods_uks_lsdax.qci (added) * src/bin/mpqc/validate/ref/methods_uks_xa.in (added) * src/bin/mpqc/validate/ref/methods_uks_xa.out (added) * src/bin/mpqc/validate/ref/methods_uks_xa.qci (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha00ccpvdzaugccpvdzc2v.in (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha00ccpvdzaugccpvdzc2v.out (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha00ccpvdzaugccpvdzc2v.qci (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha00ccpvdzccpvdzc2v.in (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha00ccpvdzccpvdzc2v.out (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha00ccpvdzccpvdzc2v.qci (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha10ccpvdzaugccpvdzc2v.in (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha10ccpvdzaugccpvdzc2v.out (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha10ccpvdzaugccpvdzc2v.qci (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha10ccpvdzccpvdzc2v.in (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha10ccpvdzccpvdzc2v.out (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slasha10ccpvdzccpvdzc2v.qci (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime00ccpvdzaugccpvdzc2v.in (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime00ccpvdzaugccpvdzc2v.out (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime00ccpvdzaugccpvdzc2v.qci (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime00ccpvdzccpvdzc2v.in (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime00ccpvdzccpvdzc2v.out (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime00ccpvdzccpvdzc2v.qci (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime10ccpvdzaugccpvdzc2v.in (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime10ccpvdzaugccpvdzc2v.out (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime10ccpvdzaugccpvdzc2v.qci (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime10ccpvdzccpvdzc2v.in (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime10ccpvdzccpvdzc2v.out (added) * src/bin/mpqc/validate/ref/mp2r12_mp2r12slashaprime10ccpvdzccpvdzc2v.qci (added) * src/bin/mpqc/validate/ref/opt_b2h6scf631gsd2hopt.in (added) * src/bin/mpqc/validate/ref/opt_b2h6scf631gsd2hopt.out (added) * src/bin/mpqc/validate/ref/opt_b2h6scf631gsd2hopt.qci (added) * src/bin/mpqc/validate/ref/opt_beh2scf631gsd2hopt.in (added) * src/bin/mpqc/validate/ref/opt_beh2scf631gsd2hopt.out (added) * src/bin/mpqc/validate/ref/opt_beh2scf631gsd2hopt.qci (added) * src/bin/mpqc/validate/ref/opt_c2h2scf631gsd2hopt.in (added) * src/bin/mpqc/validate/ref/opt_c2h2scf631gsd2hopt.out (added) * src/bin/mpqc/validate/ref/opt_c2h2scf631gsd2hopt.qci (added) * src/bin/mpqc/validate/ref/opt_h2oscf631gsc2vopt.in (added) * src/bin/mpqc/validate/ref/opt_h2oscf631gsc2vopt.out (added) * src/bin/mpqc/validate/ref/opt_h2oscf631gsc2vopt.qci (added) * src/bin/mpqc/validate/ref/opt_h2scf631gsd2hopt.in (added) * src/bin/mpqc/validate/ref/opt_h2scf631gsd2hopt.out (added) * src/bin/mpqc/validate/ref/opt_h2scf631gsd2hopt.qci (added) * src/bin/mpqc/validate/ref/opt_hfscf631gsc2vopt.in (added) * src/bin/mpqc/validate/ref/opt_hfscf631gsc2vopt.out (added) * src/bin/mpqc/validate/ref/opt_hfscf631gsc2vopt.qci (added) * src/bin/mpqc/validate/ref/opt_nh3scf631gscsopt.in (added) * src/bin/mpqc/validate/ref/opt_nh3scf631gscsopt.out (added) * src/bin/mpqc/validate/ref/opt_nh3scf631gscsopt.qci (added) * src/bin/mpqc/validate/ref/optts_az2scf321gc1opt.in (added) * src/bin/mpqc/validate/ref/optts_az2scf321gc1opt.out (added) * src/bin/mpqc/validate/ref/optts_az2scf321gc1opt.qci (added) * src/bin/mpqc/validate/ref/optts_az3scf321gc1opt.in (added) * src/bin/mpqc/validate/ref/optts_az3scf321gc1opt.out (added) * src/bin/mpqc/validate/ref/optts_az3scf321gc1opt.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0can.in (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0can.out (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0can.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0gs.in (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0gs.out (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0gs.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0sym.in (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0sym.out (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt0sym.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1can.in (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1can.out (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1can.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1gs.in (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1gs.out (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1gs.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1sym.in (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1sym.out (added) * src/bin/mpqc/validate/ref/orthog_ch2hfs6311ppgssc2vt1sym.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0can.in (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0can.out (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0can.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0gs.in (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0gs.out (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0gs.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0sym.in (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0sym.out (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt0sym.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1can.in (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1can.out (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1can.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1gs.in (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1gs.out (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1gs.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1sym.in (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1sym.out (added) * src/bin/mpqc/validate/ref/orthog_ch2scf6311ppgssc2vt1sym.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0can.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0can.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0can.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0gs.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0gs.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0gs.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0sym.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0sym.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt0sym.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1can.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1can.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1can.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1gs.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1gs.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1gs.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1sym.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1sym.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v1006311ppgssc2vt1sym.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0can.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0can.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0can.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0gs.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0gs.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0gs.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0sym.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0sym.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt0sym.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1can.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1can.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1can.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1gs.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1gs.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1gs.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1sym.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1sym.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2006311ppgssc2vt1sym.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0can.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0can.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0can.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0gs.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0gs.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0gs.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0sym.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0sym.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt0sym.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1can.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1can.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1can.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1gs.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1gs.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1gs.qci (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1sym.in (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1sym.out (added) * src/bin/mpqc/validate/ref/orthog_ch2zapt2v2lb006311ppgssc2vt1sym.qci (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0can.in (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0can.out (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0can.qci (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0gs.in (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0gs.out (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0gs.qci (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0sym.in (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0sym.out (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt0sym.qci (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1can.in (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1can.out (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1can.qci (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1gs.in (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1gs.out (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1gs.qci (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1sym.in (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1sym.out (added) * src/bin/mpqc/validate/ref/orthog_h2ohfs6311ppgssc2vt1sym.qci (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0can.in (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0can.out (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0can.qci (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0gs.in (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0gs.out (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0gs.qci (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0sym.in (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0sym.out (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt0sym.qci (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1can.in (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1can.out (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1can.qci (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1gs.in (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1gs.out (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1gs.qci (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1sym.in (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1sym.out (added) * src/bin/mpqc/validate/ref/orthog_h2omp2006311ppgssc2vt1sym.qci (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0can.in (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0can.out (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0can.qci (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0gs.in (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0gs.out (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0gs.qci (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0sym.in (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0sym.out (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt0sym.qci (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1can.in (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1can.out (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1can.qci (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1gs.in (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1gs.out (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1gs.qci (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1sym.in (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1sym.out (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v1006311ppgssc2vt1sym.qci (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0can.in (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0can.out (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0can.qci (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0gs.in (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0gs.out (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0gs.qci (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0sym.in (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0sym.out (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt0sym.qci (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt1can.in (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt1can.out (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt1can.qci (added) * src/bin/mpqc/validate/ref/orthog_h2omp2v2006311ppgssc2vt1gs.in (added) * 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* src/bin/mpqc/validate/ref/uscf_ch2upw916311gssc2v.in (added) * src/bin/mpqc/validate/ref/uscf_ch2upw916311gssc2v.out (added) * src/bin/mpqc/validate/ref/uscf_ch2upw916311gssc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_ch2upw91sto3gc2v.in (added) * src/bin/mpqc/validate/ref/uscf_ch2upw91sto3gc2v.out (added) * src/bin/mpqc/validate/ref/uscf_ch2upw91sto3gc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_ch2uspz816311gssc2v.in (added) * src/bin/mpqc/validate/ref/uscf_ch2uspz816311gssc2v.out (added) * src/bin/mpqc/validate/ref/uscf_ch2uspz816311gssc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_ch2uspz81sto3gc2v.in (added) * src/bin/mpqc/validate/ref/uscf_ch2uspz81sto3gc2v.out (added) * src/bin/mpqc/validate/ref/uscf_ch2uspz81sto3gc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_ch2uxalpha6311gssc2v.in (added) * src/bin/mpqc/validate/ref/uscf_ch2uxalpha6311gssc2v.out (added) * src/bin/mpqc/validate/ref/uscf_ch2uxalpha6311gssc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_ch2uxalphasto3gc2v.in (added) * src/bin/mpqc/validate/ref/uscf_ch2uxalphasto3gc2v.out (added) * src/bin/mpqc/validate/ref/uscf_ch2uxalphasto3gc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3lyp6311gssd2h.in (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3lyp6311gssd2h.out (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3lyp6311gssd2h.qci (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3lypsto3gd2h.in (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3lypsto3gd2h.out (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3lypsto3gd2h.qci (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3p866311gssd2h.in (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3p866311gssd2h.out (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3p866311gssd2h.qci (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3p86sto3gd2h.in (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3p86sto3gd2h.out (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3p86sto3gd2h.qci (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3pw916311gssd2h.in (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3pw916311gssd2h.out (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3pw916311gssd2h.qci (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3pw91sto3gd2h.in (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3pw91sto3gd2h.out (added) * src/bin/mpqc/validate/ref/uscf_dh2ub3pw91sto3gd2h.qci (added) * src/bin/mpqc/validate/ref/uscf_dh2ublyp6311gssd2h.in (added) * src/bin/mpqc/validate/ref/uscf_dh2ublyp6311gssd2h.out (added) * src/bin/mpqc/validate/ref/uscf_dh2ublyp6311gssd2h.qci (added) * src/bin/mpqc/validate/ref/uscf_dh2ublypsto3gd2h.in (added) * src/bin/mpqc/validate/ref/uscf_dh2ublypsto3gd2h.out (added) * src/bin/mpqc/validate/ref/uscf_dh2ublypsto3gd2h.qci (added) * src/bin/mpqc/validate/ref/uscf_dh2ubp866311gssd2h.in (added) * src/bin/mpqc/validate/ref/uscf_dh2ubp866311gssd2h.out (added) * src/bin/mpqc/validate/ref/uscf_dh2ubp866311gssd2h.qci (added) * src/bin/mpqc/validate/ref/uscf_dh2ubp86sto3gd2h.in (added) * src/bin/mpqc/validate/ref/uscf_dh2ubp86sto3gd2h.out (added) * src/bin/mpqc/validate/ref/uscf_dh2ubp86sto3gd2h.qci (added) * src/bin/mpqc/validate/ref/uscf_dh2ubpw916311gssd2h.in (added) * src/bin/mpqc/validate/ref/uscf_dh2ubpw916311gssd2h.out (added) * src/bin/mpqc/validate/ref/uscf_dh2ubpw916311gssd2h.qci (added) * src/bin/mpqc/validate/ref/uscf_dh2ubpw91sto3gd2h.in (added) * src/bin/mpqc/validate/ref/uscf_dh2ubpw91sto3gd2h.out (added) * src/bin/mpqc/validate/ref/uscf_dh2ubpw91sto3gd2h.qci (added) * src/bin/mpqc/validate/ref/uscf_dh2uhf6311gssd2h.in (added) * src/bin/mpqc/validate/ref/uscf_dh2uhf6311gssd2h.out (added) * src/bin/mpqc/validate/ref/uscf_dh2uhf6311gssd2h.qci (added) * src/bin/mpqc/validate/ref/uscf_dh2uhfb6311gssd2h.in (added) * src/bin/mpqc/validate/ref/uscf_dh2uhfb6311gssd2h.out (added) * src/bin/mpqc/validate/ref/uscf_dh2uhfb6311gssd2h.qci (added) * src/bin/mpqc/validate/ref/uscf_dh2uhfbsto3gd2h.in (added) * 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(added) * src/bin/mpqc/validate/ref/uscf_h2ouhfs6311gssc2v.in (added) * src/bin/mpqc/validate/ref/uscf_h2ouhfs6311gssc2v.out (added) * src/bin/mpqc/validate/ref/uscf_h2ouhfs6311gssc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_h2ouhfssto3gc2v.in (added) * src/bin/mpqc/validate/ref/uscf_h2ouhfssto3gc2v.out (added) * src/bin/mpqc/validate/ref/uscf_h2ouhfssto3gc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_h2ouhfsto3gc2v.in (added) * src/bin/mpqc/validate/ref/uscf_h2ouhfsto3gc2v.out (added) * src/bin/mpqc/validate/ref/uscf_h2ouhfsto3gc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_h2oukmlyp6311gssc2v.in (added) * src/bin/mpqc/validate/ref/uscf_h2oukmlyp6311gssc2v.out (added) * src/bin/mpqc/validate/ref/uscf_h2oukmlyp6311gssc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_h2oukmlypsto3gc2v.in (added) * src/bin/mpqc/validate/ref/uscf_h2oukmlypsto3gc2v.out (added) * src/bin/mpqc/validate/ref/uscf_h2oukmlypsto3gc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_h2oupbe6311gssc2v.in (added) * src/bin/mpqc/validate/ref/uscf_h2oupbe6311gssc2v.out (added) * src/bin/mpqc/validate/ref/uscf_h2oupbe6311gssc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_h2oupbesto3gc2v.in (added) * src/bin/mpqc/validate/ref/uscf_h2oupbesto3gc2v.out (added) * src/bin/mpqc/validate/ref/uscf_h2oupbesto3gc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_h2oupw916311gssc2v.in (added) * src/bin/mpqc/validate/ref/uscf_h2oupw916311gssc2v.out (added) * src/bin/mpqc/validate/ref/uscf_h2oupw916311gssc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_h2oupw91sto3gc2v.in (added) * src/bin/mpqc/validate/ref/uscf_h2oupw91sto3gc2v.out (added) * src/bin/mpqc/validate/ref/uscf_h2oupw91sto3gc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_h2ouspz816311gssc2v.in (added) * src/bin/mpqc/validate/ref/uscf_h2ouspz816311gssc2v.out (added) * src/bin/mpqc/validate/ref/uscf_h2ouspz816311gssc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_h2ouspz81sto3gc2v.in (added) * src/bin/mpqc/validate/ref/uscf_h2ouspz81sto3gc2v.out (added) * src/bin/mpqc/validate/ref/uscf_h2ouspz81sto3gc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_h2ouxalpha6311gssc2v.in (added) * src/bin/mpqc/validate/ref/uscf_h2ouxalpha6311gssc2v.out (added) * src/bin/mpqc/validate/ref/uscf_h2ouxalpha6311gssc2v.qci (added) * src/bin/mpqc/validate/ref/uscf_h2ouxalphasto3gc2v.in (added) * src/bin/mpqc/validate/ref/uscf_h2ouxalphasto3gc2v.out (added) * src/bin/mpqc/validate/ref/uscf_h2ouxalphasto3gc2v.qci (added) * src/bin/mpqc/validate/symm1.qci (added) * src/bin/mpqc/validate/symm2.qci (added) * src/bin/mpqc/validate/symm3.qci (added) * src/bin/mpqc/validate/uscf.qci (added) * src/bin/mpqc/version.h (added) * src/bin/scls/LIBS.h (added) * src/bin/scls/Makefile (added) * src/bin/scls/scls.cc (added) * src/bin/scls/scls.dox (added) * src/bin/scpr/LIBS.h (added) * src/bin/scpr/Makefile (added) * src/bin/scpr/scpr.cc (added) * src/bin/scpr/scpr.dox (added) * src/lib/Makefile (added) * src/lib/chemistry/Makefile (added) * src/lib/chemistry/cca/LIBS.h (added) * src/lib/chemistry/cca/MPQC_ChemistryOpt_CoordinateModel_Impl.cc (added) * src/lib/chemistry/cca/MPQC_ChemistryOpt_CoordinateModel_Impl.hh (added) * src/lib/chemistry/cca/MPQC_Chemistry_MoleculeViewer_Impl.cc (added) * src/lib/chemistry/cca/MPQC_Chemistry_MoleculeViewer_Impl.hh (added) * src/lib/chemistry/cca/MPQC_Chemistry_Molecule_Impl.cc (added) * src/lib/chemistry/cca/MPQC_Chemistry_Molecule_Impl.hh (added) * src/lib/chemistry/cca/MPQC_Chemistry_QC_ModelFactory_Impl.cc (added) * src/lib/chemistry/cca/MPQC_Chemistry_QC_ModelFactory_Impl.hh (added) * src/lib/chemistry/cca/MPQC_Chemistry_QC_Model_Impl.cc (added) * src/lib/chemistry/cca/MPQC_Chemistry_QC_Model_Impl.hh (added) * src/lib/chemistry/cca/MPQC_ComponentClassDescription_Impl.cc (added) * src/lib/chemistry/cca/MPQC_ComponentClassDescription_Impl.hh (added) * src/lib/chemistry/cca/MPQC_ComponentFactory_Impl.cc (added) * src/lib/chemistry/cca/MPQC_ComponentFactory_Impl.hh (added) * 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src/lib/util/psi3/libpsio/init.cc (added) * src/lib/util/psi3/libpsio/open.cc (added) * src/lib/util/psi3/libpsio/open_check.cc (added) * src/lib/util/psi3/libpsio/psifiles.h (added) * src/lib/util/psi3/libpsio/psio.gbl (added) * src/lib/util/psi3/libpsio/psio.h (added) * src/lib/util/psi3/libpsio/psiotest.cc (added) * src/lib/util/psi3/libpsio/read.cc (added) * src/lib/util/psi3/libpsio/read_block.cc (added) * src/lib/util/psi3/libpsio/read_entry.cc (added) * src/lib/util/psi3/libpsio/rw.cc (added) * src/lib/util/psi3/libpsio/tocclean.cc (added) * src/lib/util/psi3/libpsio/tocdel.cc (added) * src/lib/util/psi3/libpsio/toclast.cc (added) * src/lib/util/psi3/libpsio/tocprint.cc (added) * src/lib/util/psi3/libpsio/tocread.cc (added) * src/lib/util/psi3/libpsio/tocscan.cc (added) * src/lib/util/psi3/libpsio/tocwrite.cc (added) * src/lib/util/psi3/libpsio/volseek.cc (added) * src/lib/util/psi3/libpsio/write.cc (added) * src/lib/util/psi3/libpsio/write_block.cc (added) * src/lib/util/psi3/libpsio/write_entry.cc (added) * src/lib/util/ref/LIBS.h (added) * src/lib/util/ref/Makefile (added) * src/lib/util/ref/identity.cc (added) * src/lib/util/ref/identity.h (added) * src/lib/util/ref/ref.cc (added) * src/lib/util/ref/ref.dox (added) * src/lib/util/ref/ref.h (added) * src/lib/util/ref/reftest.cc (added) * src/lib/util/ref/reftestx.cc (added) * src/lib/util/ref/reftestx.h (added) * src/lib/util/render/LIBS.h (added) * src/lib/util/render/Makefile (added) * src/lib/util/render/algebra3.cc (added) * src/lib/util/render/algebra3.h (added) * src/lib/util/render/animate.cc (added) * src/lib/util/render/animate.h (added) * src/lib/util/render/appearance.cc (added) * src/lib/util/render/appearance.h (added) * src/lib/util/render/color.cc (added) * src/lib/util/render/color.h (added) * src/lib/util/render/find.h (added) * src/lib/util/render/linkage.h (added) * src/lib/util/render/material.cc (added) * src/lib/util/render/material.h (added) * src/lib/util/render/object.cc (added) * src/lib/util/render/object.h (added) * src/lib/util/render/oogl.cc (added) * src/lib/util/render/oogl.h (added) * src/lib/util/render/parameter.h (added) * src/lib/util/render/polygons.cc (added) * src/lib/util/render/polygons.h (added) * src/lib/util/render/polylines.cc (added) * src/lib/util/render/polylines.h (added) * src/lib/util/render/polysphere.cc (added) * src/lib/util/render/polysphere.h (added) * src/lib/util/render/render.cc (added) * src/lib/util/render/render.h (added) * src/lib/util/render/rentest.cc (added) * src/lib/util/render/rentest.in (added) * src/lib/util/render/sphere.cc (added) * src/lib/util/render/sphere.h (added) * src/lib/util/render/stack.h (added) * src/lib/util/render/tempinst.cc (added) * src/lib/util/render/transform.cc (added) * src/lib/util/render/transform.h (added) * src/lib/util/state/LIBS.h (added) * src/lib/util/state/Makefile (added) * src/lib/util/state/linkage.h (added) * src/lib/util/state/proxy.cc (added) * src/lib/util/state/proxy.h (added) * src/lib/util/state/state.cc (added) * src/lib/util/state/state.dox (added) * src/lib/util/state/state.h (added) * src/lib/util/state/state_bin.cc (added) * src/lib/util/state/state_bin.h (added) * src/lib/util/state/state_file.cc (added) * src/lib/util/state/state_file.h (added) * src/lib/util/state/state_text.cc (added) * src/lib/util/state/state_text.h (added) * src/lib/util/state/statein.cc (added) * src/lib/util/state/statein.h (added) * src/lib/util/state/stateio.h (added) * src/lib/util/state/stateout.cc (added) * src/lib/util/state/stateout.h (added) * src/lib/util/state/statetest.cc (added) * src/lib/util/state/statetest.in (added) * src/lib/util/state/tmplinst.cc (added) * src/lib/util/state/translate.cc (added) * src/lib/util/state/translate.h (added) Squashed 'ThirdParty/mpqc_open/' content from commit 97a6bc8 ... Thu, 02 Mar 2017 07:35:46 GMT Frederik Heber [889d80] * tests/JobMarket/Makefile.am (modified) FIX: tests/JobMarket's mpqc lacked CodePatterns_LDFLAGS. Thu, 02 Mar 2017 07:25:41 GMT Frederik Heber [99689b] * src/Jobs/unittests/Makefile.am (modified) * src/Makefile.am (modified) FIX: Missing JobMarket_LDFLAGS in executables and unit tests. Thu, 02 Mar 2017 07:25:26 GMT Frederik Heber [2f5562] * Makefile.am (modified) * ThirdParty/JobMarket/configure.ac (modified) * ThirdParty/JobMarket/src/unittests/Makefile.am (modified) * configure.ac (modified) Added JobMarket as ThirdParty module, Missing CodePatterns_LDFLAGS in ... Thu, 02 Mar 2017 07:24:06 GMT Frederik Heber [363f28] * ThirdParty/JobMarket/.gitignore (added) * ThirdParty/JobMarket/AUTHORS (added) * ThirdParty/JobMarket/COPYING (added) * ThirdParty/JobMarket/ChangeLog (added) * ThirdParty/JobMarket/INSTALL (added) * ThirdParty/JobMarket/JobMarket-debug.pc.in (added) * ThirdParty/JobMarket/JobMarket.pc.in (added) * ThirdParty/JobMarket/JobMarketController-debug.pc.in (added) * ThirdParty/JobMarket/JobMarketController.pc.in (added) * ThirdParty/JobMarket/JobMarketPoolWorker-debug.pc.in (added) * ThirdParty/JobMarket/JobMarketPoolWorker.pc.in (added) * ThirdParty/JobMarket/JobMarketServer-debug.pc.in (added) * ThirdParty/JobMarket/JobMarketServer.pc.in (added) * ThirdParty/JobMarket/Makefile.am (added) * ThirdParty/JobMarket/NEWS (added) * ThirdParty/JobMarket/README (added) * ThirdParty/JobMarket/bootstrap (added) * ThirdParty/JobMarket/build-aux/README (added) * ThirdParty/JobMarket/configure.ac (added) * ThirdParty/JobMarket/configure.scan (added) * ThirdParty/JobMarket/doc/Doxyfile (added) * ThirdParty/JobMarket/doc/Makefile.am (added) * ThirdParty/JobMarket/doc/am_doxygen_include.am (added) * ThirdParty/JobMarket/libJobMarket_config.h.in (added) * ThirdParty/JobMarket/m4/ac_doxygen.m4 (added) * ThirdParty/JobMarket/m4/ax_codepatterns.m4 (added) * ThirdParty/JobMarket/m4/ax_jobmarket.m4 (added) * ThirdParty/JobMarket/m4/boost.m4 (added) * ThirdParty/JobMarket/m4/cppunit.m4 (added) * ThirdParty/JobMarket/m4/ltsugar.m4 (added) * ThirdParty/JobMarket/src/JobMarket/Connection.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/ControllerCommand.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/ControllerCommandRegistry.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/ControllerCommandRegistry.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/ControllerOptions.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/ControllerOptions.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/ControllerOptions_SystemCommandJob.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/ControllerOptions_SystemCommandJob.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/FragmentController.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/FragmentController.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/FragmentController_JobIdProxy.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/FragmentController_JobIdProxy.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/controller.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/controller_AddOn.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/controller_AddOn_SystemCommandJob.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/controller_SystemCommandJob.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/controller_SystemCommandJob.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/controller_main.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Controller/controller_main.hpp (added) * ThirdParty/JobMarket/src/JobMarket/ControllerChoices.hpp (added) * ThirdParty/JobMarket/src/JobMarket/DefaultOptions.cpp (added) * ThirdParty/JobMarket/src/JobMarket/DefaultOptions.hpp (added) * ThirdParty/JobMarket/src/JobMarket/ExitflagContainer.hpp (added) * ThirdParty/JobMarket/src/JobMarket/FragmentQueue.cpp (added) * ThirdParty/JobMarket/src/JobMarket/FragmentQueue.hpp (added) * ThirdParty/JobMarket/src/JobMarket/FragmentScheduler.cpp (added) * ThirdParty/JobMarket/src/JobMarket/FragmentScheduler.hpp (added) * ThirdParty/JobMarket/src/JobMarket/FragmentScheduler_ControllerListener.cpp (added) * ThirdParty/JobMarket/src/JobMarket/FragmentScheduler_WorkerListener.cpp (added) * ThirdParty/JobMarket/src/JobMarket/GlobalJobId.cpp (added) * ThirdParty/JobMarket/src/JobMarket/GlobalJobId.hpp (added) * ThirdParty/JobMarket/src/JobMarket/JobId.cpp (added) * ThirdParty/JobMarket/src/JobMarket/JobId.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Jobs/FragmentJob.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Jobs/FragmentJob.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Jobs/NoOpJob.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Jobs/NoOpJob.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Jobs/SystemCommandJob.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Jobs/SystemCommandJob.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Listener.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Listener.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Makefile.am (added) * ThirdParty/JobMarket/src/JobMarket/Operations/AsyncOperation.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/AsyncOperation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Controllers/CheckResultsOperation.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Controllers/CheckResultsOperation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Controllers/GetNextJobIdOperation.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Controllers/GetNextJobIdOperation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Controllers/ReceiveResultsOperation.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Controllers/ReceiveResultsOperation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Controllers/RemoveAllJobsOperation.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Controllers/RemoveAllJobsOperation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Controllers/RemoveAllResultsOperation.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Controllers/RemoveAllResultsOperation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Controllers/RemoveAllWorkerOperation.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Controllers/RemoveAllWorkerOperation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Controllers/SendJobsOperation.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Controllers/SendJobsOperation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Controllers/ShutdownOperation.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Controllers/ShutdownOperation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Operation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/OperationQueue.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/OperationQueue.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/OperationRegistry.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/OperationRegistry.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Servers/CheckAliveWorkerOperation.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Servers/CheckAliveWorkerOperation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Servers/SendJobToWorkerOperation.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Servers/SendJobToWorkerOperation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Servers/ShutdownWorkerOperation.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Servers/ShutdownWorkerOperation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/SyncOperation.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/SyncOperation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Workers/EnrollInPoolOperation.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Workers/EnrollInPoolOperation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Workers/ObtainJobOperation.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Workers/ObtainJobOperation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Workers/RemoveFromPoolOperation.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Workers/RemoveFromPoolOperation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Workers/SubmitResultOperation.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Operations/Workers/SubmitResultOperation.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Pool/PoolGuard.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Pool/PoolGuard.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Pool/PoolWorker.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Pool/PoolWorker.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Pool/WorkerPool.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Pool/WorkerPool.hpp (added) * ThirdParty/JobMarket/src/JobMarket/Results/FragmentResult.cpp (added) * ThirdParty/JobMarket/src/JobMarket/Results/FragmentResult.hpp (added) * ThirdParty/JobMarket/src/JobMarket/ServerChoices.hpp (added) * ThirdParty/JobMarket/src/JobMarket/ServerOptions.cpp (added) * ThirdParty/JobMarket/src/JobMarket/ServerOptions.hpp (added) * ThirdParty/JobMarket/src/JobMarket/SignalHandler.cpp (added) * ThirdParty/JobMarket/src/JobMarket/SignalHandler.hpp (added) * ThirdParty/JobMarket/src/JobMarket/SignalOptions.cpp (added) * ThirdParty/JobMarket/src/JobMarket/SignalOptions.hpp (added) * ThirdParty/JobMarket/src/JobMarket/WorkerAddress.cpp (added) * ThirdParty/JobMarket/src/JobMarket/WorkerAddress.hpp (added) * ThirdParty/JobMarket/src/JobMarket/WorkerChoices.hpp (added) * ThirdParty/JobMarket/src/JobMarket/WorkerOptions.cpp (added) * ThirdParty/JobMarket/src/JobMarket/WorkerOptions.hpp (added) * ThirdParty/JobMarket/src/JobMarket/atexit.cpp (added) * ThirdParty/JobMarket/src/JobMarket/atexit.hpp (added) * ThirdParty/JobMarket/src/JobMarket/poolworker.cpp (added) * ThirdParty/JobMarket/src/JobMarket/poolworker_main.cpp (added) * ThirdParty/JobMarket/src/JobMarket/poolworker_main.hpp (added) * ThirdParty/JobMarket/src/JobMarket/server.cpp (added) * ThirdParty/JobMarket/src/JobMarket/server_main.cpp (added) * ThirdParty/JobMarket/src/JobMarket/server_main.hpp (added) * ThirdParty/JobMarket/src/JobMarket/types.hpp (added) * ThirdParty/JobMarket/src/documentation/Makefile.am (added) * ThirdParty/JobMarket/src/documentation/jobmarket.dox (added) * ThirdParty/JobMarket/src/documentation/mainpage.dox (added) * ThirdParty/JobMarket/src/unittests/FragmentJobUnitTest.cpp (added) * ThirdParty/JobMarket/src/unittests/FragmentJobUnitTest.hpp (added) * ThirdParty/JobMarket/src/unittests/FragmentQueueUnitTest.cpp (added) * ThirdParty/JobMarket/src/unittests/FragmentQueueUnitTest.hpp (added) * ThirdParty/JobMarket/src/unittests/FragmentResultUnitTest.cpp (added) * ThirdParty/JobMarket/src/unittests/FragmentResultUnitTest.hpp (added) * ThirdParty/JobMarket/src/unittests/Makefile.am (added) * ThirdParty/JobMarket/src/unittests/OperationQueueUnitTest.cpp (added) * ThirdParty/JobMarket/src/unittests/OperationQueueUnitTest.hpp (added) * ThirdParty/JobMarket/src/unittests/SystemCommandJobUnitTest.cpp (added) * ThirdParty/JobMarket/src/unittests/SystemCommandJobUnitTest.hpp (added) * ThirdParty/JobMarket/src/unittests/UnitTestMain.cpp (added) * ThirdParty/JobMarket/src/unittests/WorkerAddressUnitTest.cpp (added) * ThirdParty/JobMarket/src/unittests/WorkerAddressUnitTest.hpp (added) * ThirdParty/JobMarket/src/unittests/WorkerPoolUnitTest.cpp (added) * ThirdParty/JobMarket/src/unittests/WorkerPoolUnitTest.hpp (added) * ThirdParty/JobMarket/src/unittests/stubs/AsyncOperationStub.hpp (added) * ThirdParty/JobMarket/src/unittests/stubs/FragmentJobStub.cpp (added) * ThirdParty/JobMarket/src/unittests/stubs/FragmentJobStub.hpp (added) * ThirdParty/JobMarket/src/unittests/stubs/FragmentResultStub.cpp (added) * ThirdParty/JobMarket/src/unittests/stubs/ObserverStub.cpp (added) * ThirdParty/JobMarket/src/unittests/stubs/ObserverStub.hpp (added) * ThirdParty/JobMarket/tests/CodeChecks/Makefile.am (added) * ThirdParty/JobMarket/tests/CodeChecks/atlocal.in (added) * ThirdParty/JobMarket/tests/CodeChecks/testsuite-config_h.at (added) * ThirdParty/JobMarket/tests/CodeChecks/testsuite-date_in_dox.at (added) * ThirdParty/JobMarket/tests/CodeChecks/testsuite-header-dist.at (added) * ThirdParty/JobMarket/tests/CodeChecks/testsuite-memdebug.at (added) * ThirdParty/JobMarket/tests/CodeChecks/testsuite-project-disclaimer.at (added) * ThirdParty/JobMarket/tests/CodeChecks/testsuite.at (added) * ThirdParty/JobMarket/tests/Makefile.am (added) * ThirdParty/JobMarket/tests/regression/Makefile.am (added) * ThirdParty/JobMarket/tests/regression/atlocal.in (added) * ThirdParty/JobMarket/tests/regression/testsuite-addingjobs.at (added) * ThirdParty/JobMarket/tests/regression/testsuite-checkalive.at (added) * ThirdParty/JobMarket/tests/regression/testsuite-checkstate.at (added) * ThirdParty/JobMarket/tests/regression/testsuite-completerun.at (added) * ThirdParty/JobMarket/tests/regression/testsuite-enrollinpool.at (added) * ThirdParty/JobMarket/tests/regression/testsuite-getresults.at (added) * ThirdParty/JobMarket/tests/regression/testsuite-resubmitjobs.at (added) * ThirdParty/JobMarket/tests/regression/testsuite-server-shutdown.at (added) * ThirdParty/JobMarket/tests/regression/testsuite-server-worker.at (added) * ThirdParty/JobMarket/tests/regression/testsuite.at (added) Merge commit '404d2be35f6544290132fcbe8f79a4ff9c6584ad' as ... Thu, 02 Mar 2017 07:24:06 GMT Frederik Heber [404d2b] * .gitignore (added) * AUTHORS (added) * COPYING (added) * ChangeLog (added) * INSTALL (added) * JobMarket-debug.pc.in (added) * JobMarket.pc.in (added) * JobMarketController-debug.pc.in (added) * JobMarketController.pc.in (added) * JobMarketPoolWorker-debug.pc.in (added) * JobMarketPoolWorker.pc.in (added) * JobMarketServer-debug.pc.in (added) * JobMarketServer.pc.in (added) * Makefile.am (added) * NEWS (added) * README (added) * bootstrap (added) * build-aux/README (added) * configure.ac (added) * configure.scan (added) * doc/Doxyfile (added) * doc/Makefile.am (added) * doc/am_doxygen_include.am (added) * libJobMarket_config.h.in (added) * m4/ac_doxygen.m4 (added) * m4/ax_codepatterns.m4 (added) * m4/ax_jobmarket.m4 (added) * m4/boost.m4 (added) * m4/cppunit.m4 (added) * m4/ltsugar.m4 (added) * src/JobMarket/Connection.hpp (added) * src/JobMarket/Controller/ControllerCommand.hpp (added) * src/JobMarket/Controller/ControllerCommandRegistry.cpp (added) * src/JobMarket/Controller/ControllerCommandRegistry.hpp (added) * src/JobMarket/Controller/ControllerOptions.cpp (added) * src/JobMarket/Controller/ControllerOptions.hpp (added) * src/JobMarket/Controller/ControllerOptions_SystemCommandJob.cpp (added) * src/JobMarket/Controller/ControllerOptions_SystemCommandJob.hpp (added) * src/JobMarket/Controller/FragmentController.cpp (added) * src/JobMarket/Controller/FragmentController.hpp (added) * src/JobMarket/Controller/FragmentController_JobIdProxy.cpp (added) * src/JobMarket/Controller/FragmentController_JobIdProxy.hpp (added) * src/JobMarket/Controller/controller.cpp (added) * src/JobMarket/Controller/controller_AddOn.hpp (added) * src/JobMarket/Controller/controller_AddOn_SystemCommandJob.cpp (added) * src/JobMarket/Controller/controller_SystemCommandJob.cpp (added) * src/JobMarket/Controller/controller_SystemCommandJob.hpp (added) * src/JobMarket/Controller/controller_main.cpp (added) * src/JobMarket/Controller/controller_main.hpp (added) * src/JobMarket/ControllerChoices.hpp (added) * src/JobMarket/DefaultOptions.cpp (added) * src/JobMarket/DefaultOptions.hpp (added) * src/JobMarket/ExitflagContainer.hpp (added) * src/JobMarket/FragmentQueue.cpp (added) * src/JobMarket/FragmentQueue.hpp (added) * src/JobMarket/FragmentScheduler.cpp (added) * src/JobMarket/FragmentScheduler.hpp (added) * src/JobMarket/FragmentScheduler_ControllerListener.cpp (added) * src/JobMarket/FragmentScheduler_WorkerListener.cpp (added) * src/JobMarket/GlobalJobId.cpp (added) * src/JobMarket/GlobalJobId.hpp (added) * src/JobMarket/JobId.cpp (added) * src/JobMarket/JobId.hpp (added) * src/JobMarket/Jobs/FragmentJob.cpp (added) * src/JobMarket/Jobs/FragmentJob.hpp (added) * src/JobMarket/Jobs/NoOpJob.cpp (added) * src/JobMarket/Jobs/NoOpJob.hpp (added) * src/JobMarket/Jobs/SystemCommandJob.cpp (added) * src/JobMarket/Jobs/SystemCommandJob.hpp (added) * src/JobMarket/Listener.cpp (added) * src/JobMarket/Listener.hpp (added) * src/JobMarket/Makefile.am (added) * src/JobMarket/Operations/AsyncOperation.cpp (added) * src/JobMarket/Operations/AsyncOperation.hpp (added) * src/JobMarket/Operations/Controllers/CheckResultsOperation.cpp (added) * src/JobMarket/Operations/Controllers/CheckResultsOperation.hpp (added) * src/JobMarket/Operations/Controllers/GetNextJobIdOperation.cpp (added) * src/JobMarket/Operations/Controllers/GetNextJobIdOperation.hpp (added) * src/JobMarket/Operations/Controllers/ReceiveResultsOperation.cpp (added) * src/JobMarket/Operations/Controllers/ReceiveResultsOperation.hpp (added) * src/JobMarket/Operations/Controllers/RemoveAllJobsOperation.cpp (added) * src/JobMarket/Operations/Controllers/RemoveAllJobsOperation.hpp (added) * src/JobMarket/Operations/Controllers/RemoveAllResultsOperation.cpp (added) * src/JobMarket/Operations/Controllers/RemoveAllResultsOperation.hpp (added) * src/JobMarket/Operations/Controllers/RemoveAllWorkerOperation.cpp (added) * src/JobMarket/Operations/Controllers/RemoveAllWorkerOperation.hpp (added) * src/JobMarket/Operations/Controllers/SendJobsOperation.cpp (added) * src/JobMarket/Operations/Controllers/SendJobsOperation.hpp (added) * src/JobMarket/Operations/Controllers/ShutdownOperation.cpp (added) * src/JobMarket/Operations/Controllers/ShutdownOperation.hpp (added) * src/JobMarket/Operations/Operation.hpp (added) * src/JobMarket/Operations/OperationQueue.cpp (added) * src/JobMarket/Operations/OperationQueue.hpp (added) * src/JobMarket/Operations/OperationRegistry.cpp (added) * src/JobMarket/Operations/OperationRegistry.hpp (added) * src/JobMarket/Operations/Servers/CheckAliveWorkerOperation.cpp (added) * src/JobMarket/Operations/Servers/CheckAliveWorkerOperation.hpp (added) * src/JobMarket/Operations/Servers/SendJobToWorkerOperation.cpp (added) * src/JobMarket/Operations/Servers/SendJobToWorkerOperation.hpp (added) * src/JobMarket/Operations/Servers/ShutdownWorkerOperation.cpp (added) * src/JobMarket/Operations/Servers/ShutdownWorkerOperation.hpp (added) * src/JobMarket/Operations/SyncOperation.cpp (added) * src/JobMarket/Operations/SyncOperation.hpp (added) * src/JobMarket/Operations/Workers/EnrollInPoolOperation.cpp (added) * src/JobMarket/Operations/Workers/EnrollInPoolOperation.hpp (added) * src/JobMarket/Operations/Workers/ObtainJobOperation.cpp (added) * src/JobMarket/Operations/Workers/ObtainJobOperation.hpp (added) * src/JobMarket/Operations/Workers/RemoveFromPoolOperation.cpp (added) * src/JobMarket/Operations/Workers/RemoveFromPoolOperation.hpp (added) * src/JobMarket/Operations/Workers/SubmitResultOperation.cpp (added) * src/JobMarket/Operations/Workers/SubmitResultOperation.hpp (added) * src/JobMarket/Pool/PoolGuard.cpp (added) * src/JobMarket/Pool/PoolGuard.hpp (added) * src/JobMarket/Pool/PoolWorker.cpp (added) * src/JobMarket/Pool/PoolWorker.hpp (added) * src/JobMarket/Pool/WorkerPool.cpp (added) * src/JobMarket/Pool/WorkerPool.hpp (added) * src/JobMarket/Results/FragmentResult.cpp (added) * src/JobMarket/Results/FragmentResult.hpp (added) * src/JobMarket/ServerChoices.hpp (added) * src/JobMarket/ServerOptions.cpp (added) * src/JobMarket/ServerOptions.hpp (added) * src/JobMarket/SignalHandler.cpp (added) * src/JobMarket/SignalHandler.hpp (added) * src/JobMarket/SignalOptions.cpp (added) * src/JobMarket/SignalOptions.hpp (added) * src/JobMarket/WorkerAddress.cpp (added) * src/JobMarket/WorkerAddress.hpp (added) * src/JobMarket/WorkerChoices.hpp (added) * src/JobMarket/WorkerOptions.cpp (added) * src/JobMarket/WorkerOptions.hpp (added) * src/JobMarket/atexit.cpp (added) * src/JobMarket/atexit.hpp (added) * src/JobMarket/poolworker.cpp (added) * src/JobMarket/poolworker_main.cpp (added) * src/JobMarket/poolworker_main.hpp (added) * src/JobMarket/server.cpp (added) * src/JobMarket/server_main.cpp (added) * src/JobMarket/server_main.hpp (added) * src/JobMarket/types.hpp (added) * src/documentation/Makefile.am (added) * src/documentation/jobmarket.dox (added) * src/documentation/mainpage.dox (added) * src/unittests/FragmentJobUnitTest.cpp (added) * src/unittests/FragmentJobUnitTest.hpp (added) * src/unittests/FragmentQueueUnitTest.cpp (added) * src/unittests/FragmentQueueUnitTest.hpp (added) * src/unittests/FragmentResultUnitTest.cpp (added) * src/unittests/FragmentResultUnitTest.hpp (added) * src/unittests/Makefile.am (added) * src/unittests/OperationQueueUnitTest.cpp (added) * src/unittests/OperationQueueUnitTest.hpp (added) * src/unittests/SystemCommandJobUnitTest.cpp (added) * src/unittests/SystemCommandJobUnitTest.hpp (added) * src/unittests/UnitTestMain.cpp (added) * src/unittests/WorkerAddressUnitTest.cpp (added) * src/unittests/WorkerAddressUnitTest.hpp (added) * src/unittests/WorkerPoolUnitTest.cpp (added) * src/unittests/WorkerPoolUnitTest.hpp (added) * src/unittests/stubs/AsyncOperationStub.hpp (added) * src/unittests/stubs/FragmentJobStub.cpp (added) * src/unittests/stubs/FragmentJobStub.hpp (added) * src/unittests/stubs/FragmentResultStub.cpp (added) * src/unittests/stubs/ObserverStub.cpp (added) * src/unittests/stubs/ObserverStub.hpp (added) * tests/CodeChecks/Makefile.am (added) * tests/CodeChecks/atlocal.in (added) * tests/CodeChecks/testsuite-config_h.at (added) * tests/CodeChecks/testsuite-date_in_dox.at (added) * tests/CodeChecks/testsuite-header-dist.at (added) * tests/CodeChecks/testsuite-memdebug.at (added) * tests/CodeChecks/testsuite-project-disclaimer.at (added) * tests/CodeChecks/testsuite.at (added) * tests/Makefile.am (added) * tests/regression/Makefile.am (added) * tests/regression/atlocal.in (added) * tests/regression/testsuite-addingjobs.at (added) * tests/regression/testsuite-checkalive.at (added) * tests/regression/testsuite-checkstate.at (added) * tests/regression/testsuite-completerun.at (added) * tests/regression/testsuite-enrollinpool.at (added) * tests/regression/testsuite-getresults.at (added) * tests/regression/testsuite-resubmitjobs.at (added) * tests/regression/testsuite-server-shutdown.at (added) * tests/regression/testsuite-server-worker.at (added) * tests/regression/testsuite.at (added) Squashed 'ThirdParty/JobMarket/' content from commit e194722 ... Thu, 02 Mar 2017 07:23:56 GMT Frederik Heber [25b05f] * configure.ac (modified) FIX: upped required JobMarket version. Thu, 02 Mar 2017 07:22:22 GMT Frederik Heber [3dd6a5] * ThirdParty/CodePatterns/src/Makefile.am (modified) CodePatterns' .git-version needs to be forced someplace else now. Thu, 02 Mar 2017 07:17:41 GMT Frederik Heber [26dc12] * Makefile.am (modified) * ThirdParty/LinearAlgebra/configure.ac (modified) * configure.ac (modified) Modified check for CodePatterns presence in configure.ac's. - this ... Thu, 02 Mar 2017 07:17:26 GMT Frederik Heber [53ef0d4] * src/Actions/unittests/Makefile.am (modified) * src/Fragmentation/Makefile.am (modified) * src/Fragmentation/Summation/Containers/unittests/Makefile.am (modified) * src/Makefile.am (modified) * src/Parser/unittests/Makefile.am (modified) * src/RandomNumbers/Makefile.am (modified) * src/Shapes/Makefile.am (modified) * src/Shapes/unittests/Makefile.am (modified) * src/unittests/Makefile.am (modified) FIX: Missing CodePatterns_LDFLAGS or AM_LDFLAGS or missing boost ... Thu, 02 Mar 2017 07:16:50 GMT Frederik Heber [41e8e2] * ThirdParty/CodePatterns/.gitignore (added) * ThirdParty/CodePatterns/AUTHORS (added) * ThirdParty/CodePatterns/COPYING (added) * ThirdParty/CodePatterns/INSTALL (added) * ThirdParty/CodePatterns/Makefile.am (added) * ThirdParty/CodePatterns/NEWS (added) * ThirdParty/CodePatterns/README (added) * ThirdParty/CodePatterns/TestRunnerClient.cpp (added) * ThirdParty/CodePatterns/TestRunnerClient.h (added) * ThirdParty/CodePatterns/bootstrap (added) * ThirdParty/CodePatterns/configure.ac (added) * ThirdParty/CodePatterns/debian/changelog (added) * ThirdParty/CodePatterns/debian/compat (added) * ThirdParty/CodePatterns/debian/control (added) * ThirdParty/CodePatterns/debian/copyright (added) * ThirdParty/CodePatterns/debian/makeDebianPackage.sh (added) * ThirdParty/CodePatterns/debian/rules (added) * ThirdParty/CodePatterns/debian/source/format (added) * ThirdParty/CodePatterns/doc/Doxyfile (added) * ThirdParty/CodePatterns/doc/Makefile.am (added) * ThirdParty/CodePatterns/doc/am_doxygen_include.am (added) * ThirdParty/CodePatterns/libcodepatterns-debug.pc.in (added) * ThirdParty/CodePatterns/libcodepatterns.pc.in (added) * ThirdParty/CodePatterns/libcodepatterns_config.h.in (added) * ThirdParty/CodePatterns/m4/ac_cxx_have_valarray.m4 (added) * ThirdParty/CodePatterns/m4/ac_cxx_namespaces.m4 (added) * ThirdParty/CodePatterns/m4/ac_doxygen.m4 (added) * ThirdParty/CodePatterns/m4/ax_codepatterns.m4 (added) * ThirdParty/CodePatterns/m4/boost.m4 (added) * ThirdParty/CodePatterns/m4/cppunit.m4 (added) * ThirdParty/CodePatterns/src/CodePatterns/Assert.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/AtomicInstance.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/AtomicInstance_impl.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Cacheable.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Chronos.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Clone.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Creator.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Factory.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/FactoryTypeList.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Factory_impl.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Info.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/IteratorAdaptors.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Log.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/ManipulableClone.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/ManipulablePrototypeFactory.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/ManipulablePrototypeFactory_impl.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/MemDebug.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/ObservedValue.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Observer/Channels.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Observer/GlobalObservableInfo.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Observer/Graveyard.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Observer/Notification.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Observer/Observable.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Observer/ObservedContainer.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Observer/ObservedContainer_impl.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Observer/ObservedIterator.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Observer/Observer.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Observer/ObserverLog.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Observer/Relay.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Observer/UnobservedIterator.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Observer/Zombie.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Observer/all.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Observer/defs.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/PrototypeFactory.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/PrototypeFactory_impl.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Range.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Registry.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Registry_impl.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Singleton.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Singleton_impl.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/Verbose.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/enumeration.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/errorlogger.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/logger.hpp (added) * ThirdParty/CodePatterns/src/CodePatterns/toString.hpp (added) * ThirdParty/CodePatterns/src/Helpers/Assert.cpp (added) * ThirdParty/CodePatterns/src/Helpers/Chronos.cpp (added) * ThirdParty/CodePatterns/src/Helpers/Info.cpp (added) * ThirdParty/CodePatterns/src/Helpers/Log.cpp (added) * ThirdParty/CodePatterns/src/Helpers/Makefile.am (added) * ThirdParty/CodePatterns/src/Helpers/MemDebug.cpp (added) * ThirdParty/CodePatterns/src/Helpers/Verbose.cpp (added) * ThirdParty/CodePatterns/src/Helpers/errorlogger.cpp (added) * ThirdParty/CodePatterns/src/Helpers/logger.cpp (added) * ThirdParty/CodePatterns/src/Helpers/unittests/AssertUnitTest.cpp (added) * ThirdParty/CodePatterns/src/Helpers/unittests/AssertUnitTest.hpp (added) * ThirdParty/CodePatterns/src/Helpers/unittests/ChronosUnitTest.cpp (added) * ThirdParty/CodePatterns/src/Helpers/unittests/ChronosUnitTest.hpp (added) * ThirdParty/CodePatterns/src/Helpers/unittests/InfoUnitTest.cpp (added) * ThirdParty/CodePatterns/src/Helpers/unittests/InfoUnitTest.hpp (added) * ThirdParty/CodePatterns/src/Helpers/unittests/IteratorAdaptorsUnitTest.cpp (added) * ThirdParty/CodePatterns/src/Helpers/unittests/IteratorAdaptorsUnitTest.hpp (added) * ThirdParty/CodePatterns/src/Helpers/unittests/LogUnitTest.cpp (added) * ThirdParty/CodePatterns/src/Helpers/unittests/LogUnitTest.hpp (added) * ThirdParty/CodePatterns/src/Helpers/unittests/Makefile.am (added) * ThirdParty/CodePatterns/src/Helpers/unittests/RangeUnitTest.cpp (added) * ThirdParty/CodePatterns/src/Helpers/unittests/RangeUnitTest.hpp (added) * ThirdParty/CodePatterns/src/Helpers/unittests/stubs/ChronosStub.cpp (added) * ThirdParty/CodePatterns/src/Helpers/unittests/stubs/InfoStub.cpp (added) * ThirdParty/CodePatterns/src/Helpers/unittests/stubs/LogStub.cpp (added) * ThirdParty/CodePatterns/src/Helpers/unittests/stubs/errorloggerStub.cpp (added) * ThirdParty/CodePatterns/src/Helpers/unittests/stubs/loggerStub.cpp (added) * ThirdParty/CodePatterns/src/Makefile.am (added) * ThirdParty/CodePatterns/src/Observer/Channels.cpp (added) * ThirdParty/CodePatterns/src/Observer/GlobalObservableInfo.cpp (added) * ThirdParty/CodePatterns/src/Observer/Graveyard.cpp (added) * ThirdParty/CodePatterns/src/Observer/Makefile.am (added) * ThirdParty/CodePatterns/src/Observer/Notification.cpp (added) * ThirdParty/CodePatterns/src/Observer/Observable.cpp (added) * ThirdParty/CodePatterns/src/Observer/Observer.cpp (added) * ThirdParty/CodePatterns/src/Observer/ObserverLog.cpp (added) * ThirdParty/CodePatterns/src/Observer/Relay.cpp (added) * ThirdParty/CodePatterns/src/Observer/unittests/GraveyardUnitTest.cpp (added) * ThirdParty/CodePatterns/src/Observer/unittests/GraveyardUnitTest.hpp (added) * ThirdParty/CodePatterns/src/Observer/unittests/Makefile.am (added) * ThirdParty/CodePatterns/src/Observer/unittests/ObservedContainerUnitTest.cpp (added) * ThirdParty/CodePatterns/src/Observer/unittests/ObservedContainerUnitTest.hpp (added) * ThirdParty/CodePatterns/src/Observer/unittests/ObserverUnitTest.cpp (added) * ThirdParty/CodePatterns/src/Observer/unittests/ObserverUnitTest.hpp (added) * ThirdParty/CodePatterns/src/Observer/unittests/stubs/ObserverStub.cpp (added) * ThirdParty/CodePatterns/src/Observer/unittests/stubs/ObserverStub.hpp (added) * ThirdParty/CodePatterns/src/Patterns/Makefile.am (added) * ThirdParty/CodePatterns/src/Patterns/unittests/AtomicInstanceUnitTest.cpp (added) * ThirdParty/CodePatterns/src/Patterns/unittests/AtomicInstanceUnitTest.hpp (added) * ThirdParty/CodePatterns/src/Patterns/unittests/CacheableUnitTest.cpp (added) * ThirdParty/CodePatterns/src/Patterns/unittests/CacheableUnitTest.hpp (added) * ThirdParty/CodePatterns/src/Patterns/unittests/CloneUnitTest.cpp (added) * ThirdParty/CodePatterns/src/Patterns/unittests/CloneUnitTest.hpp (added) * ThirdParty/CodePatterns/src/Patterns/unittests/CreatorUnitTest.cpp (added) * ThirdParty/CodePatterns/src/Patterns/unittests/CreatorUnitTest.hpp (added) * ThirdParty/CodePatterns/src/Patterns/unittests/FactoryUnitTest.cpp (added) * ThirdParty/CodePatterns/src/Patterns/unittests/FactoryUnitTest.hpp (added) * ThirdParty/CodePatterns/src/Patterns/unittests/Makefile.am (added) * 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ThirdParty/CodePatterns/src/unittests/Makefile.am (added) * ThirdParty/CodePatterns/src/unittests/TestRunnerMain.cpp (added) * ThirdParty/CodePatterns/src/unittests/UnitTestMain.cpp (added) * ThirdParty/CodePatterns/src/version.hpp (added) Merge commit '084729c5923f0123e695fbe2548b393288c1f13d' as ... Thu, 02 Mar 2017 07:16:50 GMT Frederik Heber [084729c] * .gitignore (added) * AUTHORS (added) * COPYING (added) * INSTALL (added) * Makefile.am (added) * NEWS (added) * README (added) * TestRunnerClient.cpp (added) * TestRunnerClient.h (added) * bootstrap (added) * configure.ac (added) * debian/changelog (added) * debian/compat (added) * debian/control (added) * debian/copyright (added) * debian/makeDebianPackage.sh (added) * debian/rules (added) * debian/source/format (added) * doc/Doxyfile (added) * doc/Makefile.am (added) * doc/am_doxygen_include.am (added) * libcodepatterns-debug.pc.in (added) * libcodepatterns.pc.in (added) * libcodepatterns_config.h.in (added) * m4/ac_cxx_have_valarray.m4 (added) * m4/ac_cxx_namespaces.m4 (added) * m4/ac_doxygen.m4 (added) * m4/ax_codepatterns.m4 (added) * m4/boost.m4 (added) * m4/cppunit.m4 (added) * src/CodePatterns/Assert.hpp (added) * src/CodePatterns/AtomicInstance.hpp (added) * src/CodePatterns/AtomicInstance_impl.hpp (added) * src/CodePatterns/Cacheable.hpp (added) * src/CodePatterns/Chronos.hpp (added) * src/CodePatterns/Clone.hpp (added) * src/CodePatterns/Creator.hpp (added) * src/CodePatterns/Factory.hpp (added) * src/CodePatterns/FactoryTypeList.hpp (added) * src/CodePatterns/Factory_impl.hpp (added) * src/CodePatterns/Info.hpp (added) * src/CodePatterns/IteratorAdaptors.hpp (added) * src/CodePatterns/Log.hpp (added) * src/CodePatterns/ManipulableClone.hpp (added) * src/CodePatterns/ManipulablePrototypeFactory.hpp (added) * src/CodePatterns/ManipulablePrototypeFactory_impl.hpp (added) * src/CodePatterns/MemDebug.hpp (added) * src/CodePatterns/ObservedValue.hpp (added) * src/CodePatterns/Observer/Channels.hpp (added) * src/CodePatterns/Observer/GlobalObservableInfo.hpp (added) * src/CodePatterns/Observer/Graveyard.hpp (added) * src/CodePatterns/Observer/Notification.hpp (added) * src/CodePatterns/Observer/Observable.hpp (added) * src/CodePatterns/Observer/ObservedContainer.hpp (added) * src/CodePatterns/Observer/ObservedContainer_impl.hpp (added) * src/CodePatterns/Observer/ObservedIterator.hpp (added) * src/CodePatterns/Observer/Observer.hpp (added) * src/CodePatterns/Observer/ObserverLog.hpp (added) * src/CodePatterns/Observer/Relay.hpp (added) * src/CodePatterns/Observer/UnobservedIterator.hpp (added) * src/CodePatterns/Observer/Zombie.hpp (added) * src/CodePatterns/Observer/all.hpp (added) * src/CodePatterns/Observer/defs.hpp (added) * src/CodePatterns/PrototypeFactory.hpp (added) * src/CodePatterns/PrototypeFactory_impl.hpp (added) * src/CodePatterns/Range.hpp (added) * src/CodePatterns/Registry.hpp (added) * src/CodePatterns/Registry_impl.hpp (added) * src/CodePatterns/Singleton.hpp (added) * src/CodePatterns/Singleton_impl.hpp (added) * src/CodePatterns/Verbose.hpp (added) * src/CodePatterns/enumeration.hpp (added) * src/CodePatterns/errorlogger.hpp (added) * src/CodePatterns/logger.hpp (added) * src/CodePatterns/toString.hpp (added) * src/Helpers/Assert.cpp 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src/Helpers/unittests/stubs/InfoStub.cpp (added) * src/Helpers/unittests/stubs/LogStub.cpp (added) * src/Helpers/unittests/stubs/errorloggerStub.cpp (added) * src/Helpers/unittests/stubs/loggerStub.cpp (added) * src/Makefile.am (added) * src/Observer/Channels.cpp (added) * src/Observer/GlobalObservableInfo.cpp (added) * src/Observer/Graveyard.cpp (added) * src/Observer/Makefile.am (added) * src/Observer/Notification.cpp (added) * src/Observer/Observable.cpp (added) * src/Observer/Observer.cpp (added) * src/Observer/ObserverLog.cpp (added) * src/Observer/Relay.cpp (added) * src/Observer/unittests/GraveyardUnitTest.cpp (added) * src/Observer/unittests/GraveyardUnitTest.hpp (added) * src/Observer/unittests/Makefile.am (added) * src/Observer/unittests/ObservedContainerUnitTest.cpp (added) * src/Observer/unittests/ObservedContainerUnitTest.hpp (added) * src/Observer/unittests/ObserverUnitTest.cpp (added) * src/Observer/unittests/ObserverUnitTest.hpp (added) * src/Observer/unittests/stubs/ObserverStub.cpp (added) * src/Observer/unittests/stubs/ObserverStub.hpp (added) * src/Patterns/Makefile.am (added) * src/Patterns/unittests/AtomicInstanceUnitTest.cpp (added) * src/Patterns/unittests/AtomicInstanceUnitTest.hpp (added) * src/Patterns/unittests/CacheableUnitTest.cpp (added) * src/Patterns/unittests/CacheableUnitTest.hpp (added) * src/Patterns/unittests/CloneUnitTest.cpp (added) * src/Patterns/unittests/CloneUnitTest.hpp (added) * src/Patterns/unittests/CreatorUnitTest.cpp (added) * src/Patterns/unittests/CreatorUnitTest.hpp (added) * src/Patterns/unittests/FactoryUnitTest.cpp (added) * src/Patterns/unittests/FactoryUnitTest.hpp (added) * src/Patterns/unittests/Makefile.am (added) * src/Patterns/unittests/ManipulableCloneUnitTest.cpp (added) * src/Patterns/unittests/ManipulableCloneUnitTest.hpp (added) * src/Patterns/unittests/ManipulablePrototypeFactoryUnitTest.cpp (added) * src/Patterns/unittests/ManipulablePrototypeFactoryUnitTest.hpp (added) * src/Patterns/unittests/ObservedValueUnitTest.cpp (added) * src/Patterns/unittests/ObservedValueUnitTest.hpp (added) * src/Patterns/unittests/PrototypeFactoryUnitTest.cpp (added) * src/Patterns/unittests/PrototypeFactoryUnitTest.hpp (added) * src/Patterns/unittests/RegistryUnitTest.cpp (added) * src/Patterns/unittests/RegistryUnitTest.hpp (added) * src/Patterns/unittests/SingletonUnitTest.cpp (added) * src/Patterns/unittests/SingletonUnitTest.hpp (added) * src/Patterns/unittests/stubs/Cacheable_threeNumbers.cpp (added) * src/Patterns/unittests/stubs/Cacheable_threeNumbers.hpp (added) * src/Patterns/unittests/stubs/CloneStub.cpp (added) * src/Patterns/unittests/stubs/CloneStub.hpp (added) * src/Patterns/unittests/stubs/CommonNamedStub.cpp (added) * src/Patterns/unittests/stubs/CommonNamedStub.hpp (added) * src/Patterns/unittests/stubs/CommonParametersStub.hpp (added) * src/Patterns/unittests/stubs/CommonStub.cpp (added) * src/Patterns/unittests/stubs/CommonStub.hpp (added) * src/Patterns/unittests/stubs/CreatorStub.hpp (added) * src/Patterns/unittests/stubs/FactoryStub.cpp (added) * src/Patterns/unittests/stubs/FactoryStub.def (added) * src/Patterns/unittests/stubs/FactoryStub.hpp (added) * src/Patterns/unittests/stubs/FactoryStub.undef (added) * src/Patterns/unittests/stubs/ManipulableCloneStub.cpp (added) * src/Patterns/unittests/stubs/ManipulableCloneStub.hpp (added) * src/Patterns/unittests/stubs/ManipulablePrototypeFactoryStub.cpp (added) * src/Patterns/unittests/stubs/ManipulablePrototypeFactoryStub.def (added) * src/Patterns/unittests/stubs/ManipulablePrototypeFactoryStub.hpp (added) * src/Patterns/unittests/stubs/ManipulablePrototypeFactoryStub.undef (added) * src/Patterns/unittests/stubs/ObservedValue_threeNumbers.cpp (added) * src/Patterns/unittests/stubs/ObservedValue_threeNumbers.hpp (added) * src/Patterns/unittests/stubs/PrototypeFactoryStub.cpp (added) * src/Patterns/unittests/stubs/PrototypeFactoryStub.def (added) * src/Patterns/unittests/stubs/PrototypeFactoryStub.hpp (added) * src/Patterns/unittests/stubs/PrototypeFactoryStub.undef (added) * src/Patterns/unittests/stubs/RegistryStub.cpp (added) * src/Patterns/unittests/stubs/RegistryStub.hpp (added) * src/codepatterns-config-main.cpp (added) * src/codepatterns-config.hpp (added) * src/documentation/faq.dox (added) * src/documentation/main.dox (added) * src/documentation/patterns/observer.dox (added) * src/manpages/codepatterns-config.1 (added) * src/manpages/codepatterns-debug-config.1 (added) * src/unittests/Makefile.am (added) * src/unittests/TestRunnerMain.cpp (added) * src/unittests/UnitTestMain.cpp (added) * src/version.hpp (added) Squashed 'ThirdParty/CodePatterns/' content from commit c1e1041 ... Thu, 02 Mar 2017 07:14:35 GMT Frederik Heber [e7ff10] * ThirdParty/LinearAlgebra/src/LinearAlgebra/Makefile.am (modified) FIX: LinearAlgebra did not use CodePatterns_LDFLAGS. 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(moved) * ThirdParty/LinearAlgebra/tests/CodeChecks/testsuite.at (moved) * configure.ac (modified) * src/Analysis/unittests/Makefile.am (modified) * src/Atom/unittests/Makefile.am (modified) * src/Descriptors/unittests/Makefile.am (modified) * src/Filling/unittests/Makefile.am (modified) * src/Fragmentation/Exporters/unittests/Makefile.am (modified) * src/Fragmentation/Summation/SetValues/Makefile.am (modified) * src/FunctionApproximation/unittests/Makefile.am (modified) * src/Graph/unittests/Makefile.am (modified) * src/Jobs/Makefile.am (modified) * src/LinkedCell/unittests/Makefile.am (modified) * src/Makefile.am (modified) * src/Parameters/unittests/Makefile.am (modified) * src/Parser/Parameters/unittests/Makefile.am (modified) * src/Parser/unittests/Makefile.am (modified) * src/Potentials/Specifics/unittests/Makefile.am (modified) * src/Potentials/unittests/Makefile.am (modified) * src/Shapes/Makefile.am (modified) * src/Shapes/unittests/Makefile.am (modified) * src/Tesselation/unittests/Makefile.am (modified) * src/UIElements/CommandLineUI/unittests/Makefile.am (modified) * src/UIElements/Makefile.am (modified) * src/UIElements/Menu/unittests/Makefile.am (modified) * src/unittests/Makefile.am (modified) Moved LinearAlgebra sub-package into ThirdParty folder. - needed to ... Fri, 11 Nov 2016 14:25:37 GMT Frederik Heber [f45a91] * tests/regression/Potential/FitPotential/pre/angle_homology.dat (modified) * tests/regression/Potential/FitPotential/pre/improper_homology.dat (modified) * tests/regression/Potential/FitPotential/pre/length_homology.dat (modified) * tests/regression/Potential/FitPotential/pre/lj_homology.dat (modified) * tests/regression/Potential/FitPotential/pre/torsion_homology.dat (modified) * tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at (modified) TESTFIX: Redid all homology containers for potential fitting ... Fri, 11 Nov 2016 14:25:36 GMT Frederik Heber [1155ba] * src/FunctionApproximation/Extractors.cpp (modified) * src/FunctionApproximation/Extractors.hpp (modified) * src/Potentials/Specifics/FourBodyPotential_Torsion.cpp (modified) * src/Potentials/Specifics/ThreeBodyPotential_Angle.cpp (modified) * tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at (modified) Converted filterArguments... into faster filter, renamed other to ... Fri, 11 Nov 2016 14:25:36 GMT Frederik Heber [f5dbea] * src/Actions/PotentialAction/FitPartialChargesAction.cpp (modified) VERBOSE: Verbosity fix to ... Fri, 11 Nov 2016 14:25:36 GMT Frederik Heber [9c793c] * src/FunctionApproximation/Extractors.cpp (modified) * src/FunctionApproximation/Extractors.hpp (modified) * src/Potentials/EmpiricalPotential.hpp (modified) * src/Potentials/Specifics/ConstantPotential.cpp (modified) * src/Potentials/Specifics/ConstantPotential.hpp (modified) * src/Potentials/Specifics/FourBodyPotential_Improper.cpp (modified) * src/Potentials/Specifics/FourBodyPotential_Improper.hpp (modified) * src/Potentials/Specifics/FourBodyPotential_Torsion.cpp (modified) * src/Potentials/Specifics/FourBodyPotential_Torsion.hpp (modified) * src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified) * src/Potentials/Specifics/ManyBodyPotential_Tersoff.hpp (modified) * src/Potentials/Specifics/PairPotential_Harmonic.cpp (modified) * src/Potentials/Specifics/PairPotential_Harmonic.hpp (modified) * src/Potentials/Specifics/PairPotential_LennardJones.cpp (modified) * src/Potentials/Specifics/PairPotential_LennardJones.hpp (modified) * src/Potentials/Specifics/PairPotential_Morse.cpp (modified) * src/Potentials/Specifics/PairPotential_Morse.hpp (modified) * src/Potentials/Specifics/ThreeBodyPotential_Angle.cpp (modified) * src/Potentials/Specifics/ThreeBodyPotential_Angle.hpp (modified) * tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at (modified) All ..Potentials now return BindingModel instead of HomologyGraph, ... Fri, 11 Nov 2016 14:25:36 GMT Frederik Heber [bc069f] * src/Potentials/BindingModel.cpp (added) * src/Potentials/BindingModel.hpp (added) * src/Potentials/Makefile.am (modified) Added BindingModel which extends HomologyGraph for an ordered set of ... Fri, 11 Nov 2016 14:25:36 GMT Frederik Heber [824bba] * src/Fragmentation/Homology/FragmentNode.hpp (modified) FIX: FragmentNode lacked a header file from boost/serialization. Fri, 11 Nov 2016 14:25:35 GMT Frederik Heber [884d8c] * src/Potentials/Specifics/FourBodyPotential_Improper.cpp (modified) * src/Potentials/Specifics/FourBodyPotential_Improper.hpp (modified) * src/Potentials/Specifics/unittests/FourBodyPotential_ImproperUnitTest.cpp (modified) FIX: FourBodyPotential_Improper does not need to override ... Fri, 11 Nov 2016 14:25:35 GMT Frederik Heber [c738f1] * src/Fragmentation/Exporters/SaturatedFragment.cpp (modified) * src/Fragmentation/Exporters/SaturatedFragment.hpp (modified) FIX: SaturatedFragment::getEdges(). - SaturatedFragment now keeps ... Fri, 11 Nov 2016 14:25:30 GMT Frederik Heber [2124aa] * src/FunctionApproximation/Extractors.cpp (modified) * src/FunctionApproximation/unittests/ExtractorsUnitTest.cpp (modified) * src/FunctionApproximation/unittests/ExtractorsUnitTest.hpp (modified) * src/FunctionApproximation/unittests/Makefile.am (modified) * src/Potentials/Specifics/unittests/Makefile.am (modified) * tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at (modified) Extractors::reorderArgumentsByParticleTypes() rewritten to scan for ... Fri, 04 Nov 2016 11:47:34 GMT Frederik Heber [228340] * src/FunctionApproximation/Extractors.cpp (modified) * src/FunctionApproximation/Extractors.hpp (modified) * src/FunctionApproximation/TrainingData.cpp (modified) * src/FunctionApproximation/unittests/ExtractorsUnitTest.cpp (modified) Extractors::gatherAllSymmetricDistances..() additionaly gets edge set ... Fri, 04 Nov 2016 09:37:52 GMT Frederik Heber [814b8c] * src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified) * src/Fragmentation/Homology/HomologyContainer.hpp (modified) AnalyseFragmentResults stores edge per fragment in value_t of ... Fri, 04 Nov 2016 09:37:52 GMT Frederik Heber [2ae400] * src/FunctionApproximation/FunctionArgument.cpp (modified) * src/FunctionApproximation/FunctionArgument.hpp (modified) Added bonded flag to argument_t. Fri, 04 Nov 2016 09:37:51 GMT Frederik Heber [d03800] * tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_Times.dat (modified) * tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/PBC/BondFragment_Times.dat (modified) * tests/regression/Fragmentation/AnalyseFragmentationResults/post/ShortRange/BondFragment_Times.dat (modified) * tests/regression/Fragmentation/AnalyseFragmentationResults/pre/BondFragmentLongRangeResults_OBC.dat (modified) * tests/regression/Fragmentation/AnalyseFragmentationResults/pre/BondFragmentLongRangeResults_PBC.dat (modified) * tests/regression/Fragmentation/AnalyseFragmentationResults/pre/BondFragmentShortRangeResults.dat (modified) * tests/regression/Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at (modified) * tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_longrange_disabled.dat (modified) * tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat (modified) * tests/regression/Fragmentation/ParseSaveFragmentResults/pre/results.dat (modified) * tests/regression/Fragmentation/ParseSaveFragmentResults/testsuite-fragmentation-parse-save-fragment-results.at (modified) TESTFIX: Redid all fragmentation containers for associated ... Fri, 04 Nov 2016 09:37:51 GMT Frederik Heber [ea63cb] * src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified) * src/Fragmentation/Summation/Containers/FragmentationResultContainer.cpp (modified) * src/Fragmentation/Summation/Containers/FragmentationResultContainer.hpp (modified) * src/Fragmentation/Summation/Containers/FragmentationShortRangeResults.cpp (modified) * src/Fragmentation/Summation/Containers/FragmentationShortRangeResults.hpp (modified) * tests/regression/Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at (modified) * tests/regression/Fragmentation/ParseSaveFragmentResults/testsuite-fragmentation-parse-save-fragment-results.at (modified) Edges per Fragment passed on to FragmentationShortRangeResults. - ... Fri, 04 Nov 2016 09:37:51 GMT Frederik Heber [9445081] * src/Fragmentation/Automation/FragmentJobQueue.cpp (modified) * src/Fragmentation/Automation/FragmentJobQueue.hpp (modified) * src/Fragmentation/Exporters/ExportGraph_ToJobs.cpp (modified) * src/Fragmentation/Exporters/SaturatedFragment.cpp (modified) * src/Fragmentation/Exporters/SaturatedFragment.hpp (modified) FragmentJobQueue additionally stores the bond graph as an edge set ... Fri, 04 Nov 2016 09:37:51 GMT Frederik Heber [041a79] * src/Fragmentation/EdgesPerFragment.hpp (added) * src/Fragmentation/Makefile.am (modified) Added definition for a set of edges in namespace FragmentEdges. Fri, 04 Nov 2016 09:37:51 GMT Frederik Heber [e60558] * src/FunctionApproximation/Extractors.cpp (modified) * src/FunctionApproximation/Extractors.hpp (modified) * src/FunctionApproximation/FunctionModel.hpp (modified) * src/FunctionApproximation/TrainingData.cpp (modified) * src/Potentials/CompoundPotential.cpp (modified) * src/Potentials/CompoundPotential.hpp (modified) * src/Potentials/Specifics/ConstantPotential.cpp (modified) * src/Potentials/Specifics/FourBodyPotential_Torsion.cpp (modified) * src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified) * src/Potentials/Specifics/PairPotential_Harmonic.cpp (modified) * src/Potentials/Specifics/PairPotential_LennardJones.cpp (modified) * src/Potentials/Specifics/PairPotential_Morse.cpp (modified) * src/Potentials/Specifics/ThreeBodyPotential_Angle.cpp (modified) * src/UIElements/Views/Qt4/QtHomologyList.cpp (modified) Extractors require additionally the binding graph of the fragment ... Fri, 04 Nov 2016 09:37:50 GMT Frederik Heber [67044a] * src/FunctionApproximation/Extractors.cpp (modified) * src/FunctionApproximation/Extractors.hpp (modified) * src/Potentials/Specifics/ConstantPotential.cpp (modified) * src/Potentials/Specifics/FourBodyPotential_Torsion.cpp (modified) * src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified) * src/Potentials/Specifics/PairPotential_Harmonic.cpp (modified) * src/Potentials/Specifics/PairPotential_LennardJones.cpp (modified) * src/Potentials/Specifics/PairPotential_Morse.cpp (modified) * src/Potentials/Specifics/ThreeBodyPotential_Angle.cpp (modified) Extractors require additional binding model which EmpiricalPotentials ... Fri, 04 Nov 2016 09:37:50 GMT Frederik Heber [d5ca1a] * src/Potentials/EmpiricalPotential.hpp (modified) * src/Potentials/Specifics/ConstantPotential.cpp (modified) * src/Potentials/Specifics/ConstantPotential.hpp (modified) * src/Potentials/Specifics/FourBodyPotential_Improper.cpp (modified) * src/Potentials/Specifics/FourBodyPotential_Improper.hpp (modified) * src/Potentials/Specifics/FourBodyPotential_Torsion.cpp (modified) * src/Potentials/Specifics/FourBodyPotential_Torsion.hpp (modified) * src/Potentials/Specifics/ManyBodyPotential_Tersoff.cpp (modified) * src/Potentials/Specifics/ManyBodyPotential_Tersoff.hpp (modified) * src/Potentials/Specifics/PairPotential_Harmonic.cpp (modified) * src/Potentials/Specifics/PairPotential_Harmonic.hpp (modified) * src/Potentials/Specifics/PairPotential_LennardJones.cpp (modified) * src/Potentials/Specifics/PairPotential_LennardJones.hpp (modified) * src/Potentials/Specifics/PairPotential_Morse.cpp (modified) * src/Potentials/Specifics/PairPotential_Morse.hpp (modified) * src/Potentials/Specifics/ThreeBodyPotential_Angle.cpp (modified) * src/Potentials/Specifics/ThreeBodyPotential_Angle.hpp (modified) Added HomologyGraph describing binding model to every EmpiricalPotential. Fri, 04 Nov 2016 09:37:50 GMT Frederik Heber [c5e75f3] * src/FunctionApproximation/Extractors.cpp (modified) * src/FunctionApproximation/Extractors.hpp (modified) * src/FunctionApproximation/FunctionArgument.hpp (modified) * src/Potentials/CompoundPotential.cpp (modified) * src/Potentials/PotentialTrainer.cpp (modified) * src/Potentials/SerializablePotential.hpp (modified) * src/documentation/constructs/potentials.dox (modified) ParticleType_t is now an unsigned int. - this allows direct use of ... Fri, 04 Nov 2016 09:37:50 GMT Frederik Heber [c7aac9] * src/FunctionApproximation/Extractors.cpp (modified) * src/FunctionApproximation/Extractors.hpp (modified) * src/FunctionApproximation/TrainingData.cpp (modified) * src/FunctionApproximation/unittests/ExtractorsUnitTest.cpp (modified) FIX: TrainingData used charges instead of atomic numbers to recognize ... Fri, 04 Nov 2016 09:37:50 GMT Frederik Heber [e47ac7] * src/FunctionApproximation/Extractors.cpp (modified) * src/FunctionApproximation/Extractors.hpp (modified) * src/FunctionApproximation/unittests/ExtractorsUnitTest.cpp (modified) * src/FunctionApproximation/unittests/ExtractorsUnitTest.hpp (modified) REFACTOR: Removed many unused functions from Extractor namespace. - ... Fri, 04 Nov 2016 09:37:49 GMT Frederik Heber [16c6f7] * tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/OBC/BondFragment_Times.dat (modified) * tests/regression/Fragmentation/AnalyseFragmentationResults/post/LongRange/PBC/BondFragment_Times.dat (modified) * tests/regression/Fragmentation/AnalyseFragmentationResults/post/ShortRange/BondFragment_Times.dat (modified) * tests/regression/Fragmentation/AnalyseFragmentationResults/pre/BondFragmentLongRangeResults_OBC.dat (modified) * tests/regression/Fragmentation/AnalyseFragmentationResults/pre/BondFragmentLongRangeResults_PBC.dat (modified) * tests/regression/Fragmentation/AnalyseFragmentationResults/pre/BondFragmentShortRangeResults.dat (modified) * tests/regression/Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at (modified) * tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat (modified) * tests/regression/Fragmentation/ParseSaveFragmentResults/pre/results.dat (modified) * tests/regression/Fragmentation/ParseSaveFragmentResults/testsuite-fragmentation-parse-save-fragment-results.at (modified) * tests/regression/Potential/FitPartialCharges/post/water.particles (modified) * tests/regression/Potential/FitPartialCharges/pre/homology_grid.dat (modified) * tests/regression/Potential/FitPartialCharges/pre/measurement_function.py (added) * tests/regression/Potential/FitPartialCharges/testsuite-potential-fit-partial-charges.at (modified) * tests/regression/Potential/FitPotential/pre/angle_common.pdb (added) * tests/regression/Potential/FitPotential/pre/angle_homology.dat (modified) * tests/regression/Potential/FitPotential/pre/harmonic_homology.dat (deleted) * tests/regression/Potential/FitPotential/pre/improper_common.pdb (added) * tests/regression/Potential/FitPotential/pre/improper_homology.dat (modified) * tests/regression/Potential/FitPotential/pre/length_common.pdb (added) * tests/regression/Potential/FitPotential/pre/length_homology.dat (modified) * tests/regression/Potential/FitPotential/pre/lj_common.pdb (added) * tests/regression/Potential/FitPotential/pre/lj_homology.dat (modified) * tests/regression/Potential/FitPotential/pre/measurement_function.py (added) * tests/regression/Potential/FitPotential/pre/torsion_common.pdb (added) * tests/regression/Potential/FitPotential/pre/torsion_homology.dat (modified) * tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at (modified) TESTFIX: Recreated fragmentation results and homology containers for ... Fri, 04 Nov 2016 09:37:49 GMT Frederik Heber [6829d2] * src/Fragmentation/Homology/unittests/HomologyContainerUnitTest.cpp (modified) * src/Fragmentation/Homology/unittests/stubs/FragmentStub.cpp (modified) * src/Fragmentation/Summation/Containers/MPQCData.cpp (modified) * src/Fragmentation/Summation/Containers/MPQCData.hpp (modified) * src/Fragmentation/Summation/Converter/DataConverter.hpp (modified) * src/Fragmentation/Summation/SetValues/Fragment.cpp (modified) * src/Fragmentation/Summation/SetValues/Fragment.hpp (modified) * src/Fragmentation/Summation/SetValues/unittests/FragmentUnitTest.cpp (modified) * src/Fragmentation/Summation/SetValues/unittests/FragmentUnitTest.hpp (modified) * tests/regression/Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at (modified) * tests/regression/Fragmentation/ParseSaveFragmentResults/testsuite-fragmentation-parse-save-fragment-results.at (modified) * tests/regression/Potential/FitPartialCharges/testsuite-potential-fit-partial-charges.at (modified) * tests/regression/Potential/FitPotential/testsuite-potential-fit-potential.at (modified) MPQCData additionally stores the atomic number per nuclei. - in ... Fri, 04 Nov 2016 09:37:49 GMT Frederik Heber [95304c] * src/Actions/PotentialAction/FitPotentialAction.cpp (modified) REFACTOR: Extracted registerPotentialIfNotPresent out of ... Fri, 04 Nov 2016 09:37:48 GMT Frederik Heber [f946b2] * src/Atom/atom_atominfo.cpp (modified) FIX: AtomInfo::CopyStepOnStep() did require present of velocity and ... Fri, 04 Nov 2016 09:37:48 GMT Frederik Heber [2d1280] * doc/userguide/userguide.xml (modified) * src/Actions/BondAction/BondSetDegreeAction.cpp (added) * src/Actions/BondAction/BondSetDegreeAction.def (added) * src/Actions/BondAction/BondSetDegreeAction.hpp (added) * src/Actions/GlobalListOfActions.hpp (modified) * src/Actions/Makefile.am (modified) * tests/Python/AllActions/options.dat (modified) * tests/regression/Bond/SetDegree/post/test.pdb (added) * tests/regression/Bond/SetDegree/post/test_degree1.pdb (added) * tests/regression/Bond/SetDegree/post/test_degree2.pdb (added) * tests/regression/Bond/SetDegree/post/test_multiple.pdb (added) * tests/regression/Bond/SetDegree/post/test_multiple_degree1.pdb (added) * tests/regression/Bond/SetDegree/post/test_multiple_degree2.pdb (added) * tests/regression/Bond/SetDegree/pre/.pdb (added) * tests/regression/Bond/SetDegree/pre/test.pdb (added) * tests/regression/Bond/SetDegree/pre/test_multiple.pdb (added) * tests/regression/Bond/SetDegree/pre/test_multiple_fail.pdb (added) * tests/regression/Bond/SetDegree/testsuite-bond-set-degree.at (added) * tests/regression/Bond/SetDegree/testsuite-bond-set-degree_multiple.at (added) * tests/regression/Bond/testsuite-bond.at (modified) * tests/regression/Makefile.am (modified) Added BondSetDegreeAction for manipulating bond degrees. Fri, 04 Nov 2016 09:37:48 GMT Frederik Heber [3400bb] * src/Potentials/PotentialTrainer.cpp (modified) MEMFIX: PotentialTrainer::operator() had potential memory leak. Thu, 20 Oct 2016 20:54:58 GMT Frederik Heber [d24750] * src/Potentials/RegistryDeserializer_impl.hpp (modified) FIX: RegistryDeserializer stumbled over comments. Thu, 20 Oct 2016 20:54:48 GMT Frederik Heber [72e40d0] * doc/userguide/userguide.xml (modified) * src/Actions/FragmentationAction/MolecularDynamicsAction.cpp (modified) * src/Actions/FragmentationAction/StructuralOptimizationAction.cpp (modified) * src/Actions/GlobalListOfActions.hpp (modified) * src/Actions/Makefile.am (modified) * src/Actions/MoleculeAction/VerletIntegrationAction.cpp (modified) * src/Actions/WorldAction/StepWorldTimeAction.cpp (added) * src/Actions/WorldAction/StepWorldTimeAction.def (added) * src/Actions/WorldAction/StepWorldTimeAction.hpp (added) * tests/Python/AllActions/options.dat (modified) * tests/regression/Makefile.am (modified) * tests/regression/Options/testsuite-options.at (modified) * tests/regression/WorldTime/SetWorldTime/testsuite-worldtime-set-world-time.at (moved) * tests/regression/WorldTime/StepWorldTime/testsuite-worldtime-step-world-time.at (added) * tests/regression/WorldTime/testsuite-worldtime.at (added) * tests/regression/testsuite.at (modified) Added single action to step backward and forward through time. - ... Thu, 20 Oct 2016 20:54:23 GMT Frederik Heber [a1c8fa] * src/Atom/atom_bondedparticle.cpp (modified) * src/Atom/atom_bondedparticleinfo.cpp (modified) * src/Atom/atom_bondedparticleinfo.hpp (modified) * src/Fragmentation/AdaptivityMap.cpp (modified) * src/Fragmentation/Fragmentation.cpp (modified) * src/Fragmentation/fragmentation_helpers.cpp (modified) FIX: BondedParticleInfo::MaxOrder and ::AdapativeOrder are now stored ... Thu, 20 Oct 2016 20:54:23 GMT Frederik Heber [064b34] * src/Actions/WorldAction/OutputAction.cpp (modified) FIX: OutputAction gives a more helpful error message on fail. Thu, 20 Oct 2016 20:54:23 GMT Frederik Heber [180b5f] * src/Actions/FragmentationAction/FragmentationAction.cpp (modified) FragmentationAction does not give error on adjacencyfile when not ... Fri, 30 Sep 2016 15:47:43 GMT Frederik Heber [097535] * debian/changelog (modified) Added version to debian changelog. Tue, 20 Sep 2016 09:02:32 GMT Frederik Heber [4b5bd2] * configure.ac (modified) Set version to 1.5.4. - MoleCuilder library is now 17:0:0. - ... Tue, 20 Sep 2016 09:02:32 GMT Frederik Heber [b85145] * src/Tesselation/tesselation.cpp (modified) FIX: Tesselation::GetCircleOfSetOfPoints() did not check for ... Tue, 20 Sep 2016 09:02:32 GMT Frederik Heber [67645e] * src/Tesselation/tesselation.cpp (modified) WARNINGFIX: unused variable in NDEBUG case in Tesselation::operator(). Tue, 20 Sep 2016 09:02:32 GMT Frederik Heber [d00441] * src/Filling/Cluster.cpp (modified) WARNINGFIX: Cluster::insert() unused variable in NDEBUG case. Mon, 19 Sep 2016 18:12:01 GMT Frederik Heber [72b467] * src/Actions/FragmentationAction/ParseFragmentResultsAction.cpp (modified) * tests/regression/Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at (modified) ParseFragmentResultsAction warns when parsing container with grids ... Mon, 19 Sep 2016 18:12:01 GMT Frederik Heber [059833] * tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_longrange_disabled.dat (added) * tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_longrange_enabled.dat (moved) * tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_disabled.dat (added) * tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat (added) * tests/regression/Fragmentation/ParseSaveFragmentResults/testsuite-fragmentation-parse-save-fragment-results.at (modified) ENABLEFIX: FragmentResultsContainer serialization differs with no ... Sun, 18 Sep 2016 19:52:09 GMT Frederik Heber [25f5b66] * src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified) WARNINGFIX: Commented-out unused ... Sun, 18 Sep 2016 19:52:09 GMT Frederik Heber [42715d] * src/Actions/FillAction/FillRegularGridAction.cpp (modified) * src/Actions/FillAction/FillVolumeAction.cpp (modified) * src/Actions/FillAction/SuspendInMoleculeAction.cpp (modified) WARNINGFIX: Removed AtomVector typedef in some Fill..Actions. Sun, 18 Sep 2016 19:52:09 GMT Frederik Heber [bcf351] * src/Potentials/Particles/ParticleRegistry.hpp (modified) MEMFIX: ParticleRegistry did not cleanup on dstor. Sun, 18 Sep 2016 19:52:03 GMT Frederik Heber [34709f] * src/Fragmentation/Exporters/unittests/Makefile.am (modified) DISTFIX: SphericalPointDistribution_assistant.hpp missing in Makefile.am. Wed, 14 Sep 2016 18:43:53 GMT Frederik Heber [3fb9ab] * src/Parser/MpqcParser.cpp (modified) * src/Parser/unittests/ParserMpqcUnitTest.cpp (modified) * tests/regression/Atoms/Add/post/test.in (modified) * tests/regression/Atoms/Remove/post/test.in (modified) * tests/regression/Parser/Mpqc/post/doublewater.in (modified) * tests/regression/Parser/Mpqc/post/empty.in (modified) * tests/regression/Parser/Mpqc/post/test.in (modified) * tests/regression/Parser/Mpqc/post/testCLHF.in (modified) * tests/regression/Parser/Mpqc/post/testCLKS.in (modified) * tests/regression/Parser/Mpqc/post/testMBPT2.in (modified) * tests/regression/Parser/Mpqc/post/testMBPT2_R12.in (modified) * tests/regression/Parser/Mpqc/pre/testCLHF.in (modified) * tests/regression/Parser/Mpqc/pre/testCLHF_n.in (modified) * tests/regression/Parser/Mpqc/pre/testCLHF_n_ascend_ids.in (modified) * tests/regression/Parser/Mpqc/pre/testCLHF_n_mixed_ids.in (modified) * tests/regression/Parser/Mpqc/pre/testCLKS.in (modified) * tests/regression/Parser/Mpqc/pre/testMBPT2.in (modified) * tests/regression/Parser/Mpqc/pre/testMBPT2_R12.in (modified) * tests/regression/Parser/Mpqc/pre/water.in (modified) * tests/regression/Parser/SetParameters/Mpqc/post/testCLHF.in (modified) * tests/regression/Parser/SetParameters/Mpqc/pre/testCLHF.in (modified) FIX: Preventing MPQC from using old temp files for restart. - ... Wed, 14 Sep 2016 18:43:53 GMT Frederik Heber [703369] * src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified) FIX: FragmentationAutomation limited nfc to 20 and grid to 10 ... Wed, 14 Sep 2016 18:43:53 GMT Frederik Heber [291ad9] * src/Fragmentation/Summation/SetValues/FragmentForces.cpp (modified) * src/Fragmentation/Summation/SetValues/FragmentForces.hpp (modified) * src/Fragmentation/Summation/SetValues/unittests/FragmentForcesUnitTest.cpp (added) * src/Fragmentation/Summation/SetValues/unittests/FragmentForcesUnitTest.hpp (added) * src/Fragmentation/Summation/SetValues/unittests/Makefile.am (modified) Added operator+=() to FragmentForces and unit test. - FIX: ... Wed, 14 Sep 2016 18:43:46 GMT Frederik Heber [82034f1] * src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified) Added currently inactive alternative NN contribution calculation from ... Wed, 14 Sep 2016 18:43:46 GMT Frederik Heber [964c63] * src/Fragmentation/Exporters/ExportGraph_ToJobs.cpp (modified) Need to check given max-meshwidth for not being too large w.r.t delta. Wed, 14 Sep 2016 18:43:46 GMT Frederik Heber [dd9b90] * src/Fragmentation/Exporters/ExportGraph_ToJobs.cpp (modified) * src/Fragmentation/Exporters/unittests/ExportGraph_ToJobsUnitTest.cpp (modified) FIX: Fragment grid may also become smaller than specified level. - ... Wed, 14 Sep 2016 18:43:46 GMT Frederik Heber [eaef9b] * src/Fragmentation/Automation/VMGFragmentController.cpp (modified) Modying nfc by power of 2 for each additional level in fragment grid. Wed, 14 Sep 2016 18:43:46 GMT Frederik Heber [4c648a] * src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified) * tests/regression/Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at (modified) UNBREAKS: No longer downsample all grids but enforce a coarser global ... Wed, 14 Sep 2016 18:43:45 GMT Frederik Heber [45f4b6b] * src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified) * src/Fragmentation/Summation/Containers/FragmentationLongRangeResults.cpp (modified) * src/Fragmentation/Summation/Containers/FragmentationLongRangeResults.hpp (modified) FragmentationLongRangeResults requires additional zeroinstance in ... Wed, 14 Sep 2016 18:43:45 GMT Frederik Heber [ebadb4] * src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified) * src/Fragmentation/Summation/Containers/FragmentationChargeDensity.cpp (modified) * src/Fragmentation/Summation/Containers/FragmentationChargeDensity.hpp (modified) FragmentationChargeDensity requires additional zeroinstance in cstor. Wed, 14 Sep 2016 18:43:45 GMT Frederik Heber [b5134a] * src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified) * src/Fragmentation/Summation/Containers/FragmentationChargeDensity.cpp (modified) * src/Fragmentation/Summation/Containers/FragmentationChargeDensity.hpp (modified) Split operations in FragmentationChargeDensity into cstor and ... Wed, 14 Sep 2016 18:43:45 GMT Frederik Heber [409a05] * src/Fragmentation/Summation/Containers/FragmentationChargeDensity.cpp (modified) * src/Fragmentation/Summation/Containers/FragmentationLongRangeResults.cpp (modified) * src/Fragmentation/Summation/Containers/FragmentationShortRangeResults.cpp (modified) * src/Fragmentation/Summation/OrthogonalSumUpPerLevel.hpp (modified) * src/Fragmentation/Summation/SumUpPerLevel.hpp (modified) ..SumUpPerLevel are now functors that allow to set the zero instance ... Wed, 14 Sep 2016 18:43:45 GMT Frederik Heber [da098d2] * src/Fragmentation/Summation/AllLevelOrthogonalSummator.hpp (modified) * src/Fragmentation/Summation/AllLevelSummator.hpp (modified) * src/Fragmentation/Summation/Containers/FragmentationLongRangeResults.cpp (modified) * src/Fragmentation/Summation/Containers/FragmentationShortRangeResults.cpp (modified) * src/Fragmentation/Summation/Makefile.am (modified) * src/Fragmentation/Summation/OrthogonalSumUpPerLevel.hpp (modified) * src/Fragmentation/Summation/OrthogonalSummator.hpp (modified) * src/Fragmentation/Summation/SumUpPerLevel.hpp (modified) * src/Fragmentation/Summation/Summator.hpp (modified) * src/Fragmentation/Summation/ZeroInstanceInitializer.hpp (added) ..Summators and AllLevel..Summators pass through ZeroInstance, added ... Wed, 14 Sep 2016 18:43:45 GMT Frederik Heber [3d444a] * src/Fragmentation/Summation/OrthogonalSummation_impl.hpp (modified) * src/Fragmentation/Summation/Summation_impl.hpp (modified) (Orthogonal)Summation's Sum() can be further simplified now. Wed, 14 Sep 2016 18:43:45 GMT Frederik Heber [ff7ac6] * src/Fragmentation/Summation/OrthogonalSummation.hpp (modified) * src/Fragmentation/Summation/OrthogonalSummation_impl.hpp (modified) * src/Fragmentation/Summation/Summation.hpp (modified) * src/Fragmentation/Summation/Summation_impl.hpp (modified) * tests/regression/Fragmentation/AnalyseFragmentationResults/testsuite-fragmentation-analyse-fragment-results.at (modified) BREAKS: Summation and OrthogonalSummation both now allow to set a ... Wed, 14 Sep 2016 18:43:45 GMT Frederik Heber [f856ec] * src/Fragmentation/Summation/SetValues/Histogram.cpp (modified) Histogram uses copy instead of superposeOtherHistogram() when ... Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber [760fa22] * src/Fragmentation/Summation/Containers/FragmentationLongRangeResults.cpp (modified) FragmentationLongRangeResults::operator() does not need to calculate ... Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber [52a789] * src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp (modified) AnalyseFragmentationResultsAction now uses downsampled charge grids ... Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber [11edf0] * src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified) * src/Fragmentation/Summation/Containers/GridDownsampler.cpp (added) * src/Fragmentation/Summation/Containers/GridDownsampler.hpp (added) * src/Fragmentation/Summation/Containers/Makefile.am (modified) Added GridDownsampler as static functor. - extracted function from ... Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber [4a3df8] * src/Actions/FragmentationAction/FragmentationAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAction.def (modified) * src/Actions/FragmentationAction/FragmentationAutomationAction.cpp (modified) * src/Actions/FragmentationAction/FragmentationAutomationAction.def (modified) * tests/Python/AllActions/options.dat (modified) Fragmentation.. and ..AutomationAction accept a desired maximum mesh- ... Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber [2ebfd7] * src/Fragmentation/Summation/Containers/MPQCData.cpp (modified) * src/Fragmentation/Summation/Containers/MPQCData.hpp (modified) MPQCData::assignWithDownsampledGrid() uses downsample(). - in order ... Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber [ec1aae] * src/Jobs/MPQCJob.cpp (modified) * src/Jobs/MPQCJob.hpp (modified) FIX: MPQCData now correctly checks sampled_grid to be cubic. Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber [160ad7] * src/Fragmentation/Exporters/ExportGraph_ToJobs.cpp (modified) * src/Fragmentation/Exporters/ExportGraph_ToJobs.hpp (modified) * src/Fragmentation/Exporters/unittests/ExportGraph_ToJobsUnitTest.cpp (added) * src/Fragmentation/Exporters/unittests/ExportGraph_ToJobsUnitTest.hpp (added) * src/Fragmentation/Exporters/unittests/Makefile.am (modified) ExportGraph_ToJobs::operator() now calculates a specific level for ... Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber [b839fb] * src/Fragmentation/Exporters/ExportGraph_ToJobs.cpp (modified) * src/Fragmentation/Exporters/ExportGraph_ToJobs.hpp (modified) Extracted getDomainGrid from ExportGraph_ToJobs as static fct. Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber [57fda0] * src/Fragmentation/Summation/SetValues/SamplingGrid.cpp (modified) SamplingGrid::operator*=(), ::superposeOtherGrids() and ::integral() ... Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber [6a5eb2] * src/Fragmentation/Summation/SetValues/Makefile.am (modified) * src/Fragmentation/Summation/SetValues/SamplingGrid.cpp (modified) SamplingGrid::downsample() uses padWithZerosForEvenNumberedSamples(). ... Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber [d56e21] * src/Fragmentation/Summation/SetValues/SamplingGrid.cpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGrid.hpp (modified) * src/Fragmentation/Summation/SetValues/unittests/SamplingGridUnitTest.cpp (modified) * src/Fragmentation/Summation/SetValues/unittests/SamplingGridUnitTest.hpp (modified) Added padWithZerosForEvenNumberedSamples(), required by downsample(). ... Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber [91e7658] * src/Fragmentation/Summation/SetValues/SamplingGrid.cpp (modified) * src/Fragmentation/Summation/SetValues/unittests/SamplingGridUnitTest.cpp (modified) * src/Fragmentation/Summation/SetValues/unittests/SamplingGridUnitTest.hpp (modified) SamplingGridUnitTest checks downsample on window. - FIX: ... Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber [06653a] * src/Fragmentation/Summation/SetValues/SamplingGrid.cpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGrid.hpp (modified) * src/Fragmentation/Summation/SetValues/unittests/SamplingGridUnitTest.cpp (modified) * src/Fragmentation/Summation/SetValues/unittests/SamplingGridUnitTest.hpp (modified) SamplingGrid has downsample() function. - we need this when small ... Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber [cb30d9] * src/Fragmentation/Summation/SetValues/SamplingGrid.cpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGridProperties.cpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGridProperties.hpp (modified) * src/Fragmentation/Summation/SetValues/unittests/SamplingGridPropertiesUnitTest.cpp (modified) * src/Fragmentation/Summation/SetValues/unittests/SamplingGridPropertiesUnitTest.hpp (modified) * src/Fragmentation/Summation/SetValues/unittests/SamplingGridUnitTest.cpp (modified) * src/Fragmentation/Summation/SetValues/unittests/SamplingGridUnitTest.hpp (modified) Extended SamplingGridProperties::isCompatible() to allow more finely ... Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber [ca4b372] * src/Fragmentation/Summation/SetValues/SamplingGridProperties.cpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGridProperties.hpp (modified) Added getSurplusLevel() to SamplingGridProperties. - FIX: ... Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber [336da8] * src/Fragmentation/Summation/SetValues/SamplingGrid.cpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGrid.hpp (modified) * src/Jobs/WindowGrid_converter.cpp (modified) WindowGrid_converter's refactored a bit with ... Wed, 14 Sep 2016 18:42:53 GMT Frederik Heber [c1948c] * src/Fragmentation/Summation/SetValues/SamplingGrid.cpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGrid.hpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGrid_inline.hpp (modified) Added getDiscreteWindowIndices() and getDiscreteWindowLengthPerAxis() ... Wed, 14 Sep 2016 18:42:52 GMT Frederik Heber [c6da5e] * src/Jobs/InterfaceVMGJob.cpp (modified) FIX: InterfaceVMGJob used box_end as end point, not as length of ... Wed, 14 Sep 2016 18:42:52 GMT Frederik Heber [978234] * src/Fragmentation/Summation/SetValues/SamplingGrid.cpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGridProperties_inline.hpp (modified) FIX: Made getGridPointsPerAxis() not use pow() in every call. Wed, 14 Sep 2016 18:42:52 GMT Frederik Heber [e51f2c] * src/Fragmentation/Summation/SetValues/SamplingGrid.cpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGrid.hpp (modified) * src/Potentials/PartialNucleiChargeFitter.cpp (modified) Renamed SamplingGrid::getDiscreteWindowIndices() -> ... Wed, 14 Sep 2016 18:42:52 GMT Frederik Heber [5b1e5e] * src/Fragmentation/Summation/SetValues/SamplingGrid.cpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGrid.hpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGridProperties.cpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGridProperties.hpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGridProperties_inline.hpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGrid_inline.hpp (modified) * src/Fragmentation/Summation/SetValues/unittests/SamplingGridUnitTest.cpp (modified) FIX: Replaced 3 by NDIM in SamplingGrid which avoids some confusion ... Wed, 14 Sep 2016 18:42:52 GMT Frederik Heber [028790] * src/Fragmentation/Summation/SetValues/SamplingGrid.cpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGrid.hpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGridProperties.cpp (modified) * src/Fragmentation/Summation/SetValues/SamplingGridProperties.hpp (modified) Moved getNearestLowerGridPoint and ..Higher:: from SamplingGrid to ... Wed, 14 Sep 2016 18:42:52 GMT Frederik Heber [c6ddcb] * src/Fragmentation/Exporters/SaturatedFragment.cpp (modified) * src/Fragmentation/Exporters/SaturatedFragment.hpp (modified) * src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.cpp (modified) * src/Fragmentation/Exporters/unittests/SaturatedFragmentUnitTest.hpp (modified) Added getRoughBoundingBox to SaturatedFragment. Wed, 14 Sep 2016 18:42:52 GMT Frederik Heber [c24071] * src/Actions/FragmentationAction/FragmentationAction.cpp (modified) * src/Fragmentation/Exporters/ExportGraph.hpp (modified) * src/Fragmentation/Exporters/ExportGraph_ToAtomFragments.cpp (modified) * src/Fragmentation/Exporters/ExportGraph_ToAtomFragments.hpp (modified) * src/Fragmentation/Exporters/ExportGraph_ToFiles.cpp (modified) * src/Fragmentation/Exporters/ExportGraph_ToFiles.hpp (modified) * src/Fragmentation/Exporters/ExportGraph_ToJobs.cpp (modified) * src/Fragmentation/Exporters/ExportGraph_ToJobs.hpp (modified) ExportGraph::operator() now returns bool. - FragmentationAction ... Wed, 14 Sep 2016 13:36:04 GMT Frederik Heber [c4abf2] * tests/regression/Atoms/Saturate/post/saturated_cholesterol_H48_50_53_67_73.pdb (added) * tests/regression/Atoms/Saturate/post/saturated_water.pdb (added) * tests/regression/Atoms/Saturate/post/saturated_water_H1.pdb (added) * tests/regression/Atoms/Saturate/pre/cholesterol.pdb (added) * tests/regression/Atoms/Saturate/pre/water.pdb (added) * tests/regression/Atoms/Saturate/testsuite-atoms-saturate-atoms-bonded_atoms.at (added) * tests/regression/Atoms/Saturate/testsuite-atoms-saturate-atoms-carbon.at (moved) * tests/regression/Atoms/Saturate/testsuite-atoms-saturate-atoms-nitrogen.at (moved) * tests/regression/Atoms/testsuite-atoms.at (modified) * tests/regression/Makefile.am (modified) TEST: Added regression tests on saturating partially bonded atoms.