# # ChangeLog for ThirdParty/mpqc_open/configure.ac # # Generated by Trac 1.4.4 # Mar 29, 2025, 9:14:30 AM Thu, 02 Mar 2017 13:58:26 GMT Frederik Heber <heber@…> [416a65] * ThirdParty/mpqc_open/configure.ac (modified) FIX: mpqc's autoconf did not removed test file due to typo. Thu, 02 Mar 2017 13:58:26 GMT Frederik Heber <heber@…> [b4b8cc] * ThirdParty/mpqc_open/configure.ac (modified) FIX: abs_top_srcdir required for SRC_SCLIBDIR for tests. Thu, 02 Mar 2017 13:58:26 GMT Frederik Heber <heber@…> [398fcd] * ThirdParty/mpqc_open/Makefile.am (modified) * ThirdParty/mpqc_open/configure.ac (modified) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2o_scfsto3gc2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp2006311gssc1frq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp2006311gssc1frq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp2006311gssc1frq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp2006311gssc1optfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp2006311gssc1optfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp2006311gssc1optfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp2006311gssc2vfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp2006311gssc2vfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp2006311gssc2vfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp2006311gssc2voptfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp2006311gssc2voptfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp2006311gssc2voptfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp200sto3gc1frq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp200sto3gc1frq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp200sto3gc1frq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp200sto3gc1optfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp200sto3gc1optfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp200sto3gc1optfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp200sto3gc2vfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp200sto3gc2vfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp200sto3gc2vfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp200sto3gc2voptfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp200sto3gc2voptfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_mp200sto3gc2voptfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scf6311gssc1frq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scf6311gssc1frq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scf6311gssc1frq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scf6311gssc1optfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scf6311gssc1optfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scf6311gssc1optfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scf6311gssc2vfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scf6311gssc2vfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scf6311gssc2vfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scf6311gssc2voptfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scf6311gssc2voptfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scf6311gssc2voptfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scfsto3gc1frq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scfsto3gc1frq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scfsto3gc1frq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scfsto3gc1optfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scfsto3gc1optfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scfsto3gc1optfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scfsto3gc2vfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scfsto3gc2vfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scfsto3gc2vfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scfsto3gc2voptfrq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scfsto3gc2voptfrq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/h2ofrq_scfsto3gc2voptfrq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/testsuite-h2ofrqinputs-h2ofrq_mp2006311gssc1frq.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/testsuite-h2ofrqinputs-h2ofrq_mp2006311gssc1optfrq.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/testsuite-h2ofrqinputs-h2ofrq_mp2006311gssc2vfrq.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/testsuite-h2ofrqinputs-h2ofrq_mp2006311gssc2voptfrq.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/testsuite-h2ofrqinputs-h2ofrq_mp200sto3gc1frq.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/testsuite-h2ofrqinputs-h2ofrq_mp200sto3gc1optfrq.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/testsuite-h2ofrqinputs-h2ofrq_mp200sto3gc2vfrq.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/testsuite-h2ofrqinputs-h2ofrq_mp200sto3gc2voptfrq.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/testsuite-h2ofrqinputs-h2ofrq_scf6311gssc1frq.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/testsuite-h2ofrqinputs-h2ofrq_scf6311gssc1optfrq.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/testsuite-h2ofrqinputs-h2ofrq_scf6311gssc2vfrq.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/testsuite-h2ofrqinputs-h2ofrq_scf6311gssc2voptfrq.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/testsuite-h2ofrqinputs-h2ofrq_scfsto3gc1frq.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/testsuite-h2ofrqinputs-h2ofrq_scfsto3gc1optfrq.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/testsuite-h2ofrqinputs-h2ofrq_scfsto3gc2vfrq.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/testsuite-h2ofrqinputs-h2ofrq_scfsto3gc2voptfrq.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OFRQINPUTS/testsuite-h2ofrqinputs.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc1opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc1opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc1opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc2opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc2opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc2opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc2vopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc2vopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp2006311gssc2vopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc1opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc1opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc1opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc2opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc2opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc2opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc2vopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc2vopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_mp200sto3gc2vopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc1opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc1opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc1opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc2opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc2opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc2opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc2vopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc2vopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scf6311gssc2vopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc1opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc1opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc1opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc2opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc2opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc2opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc2vopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc2vopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/h2o_scfsto3gc2vopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_mp2006311gssc1.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_mp2006311gssc1opt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_mp2006311gssc2.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_mp2006311gssc2opt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_mp2006311gssc2v.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_mp2006311gssc2vopt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_mp200sto3gc1.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_mp200sto3gc1opt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_mp200sto3gc2.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_mp200sto3gc2opt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_mp200sto3gc2v.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_mp200sto3gc2vopt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_scf6311gssc1.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_scf6311gssc1opt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_scf6311gssc2.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_scf6311gssc2opt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_scf6311gssc2v.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_scf6311gssc2vopt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_scfsto3gc1.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_scfsto3gc1opt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_scfsto3gc2.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_scfsto3gc2opt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_scfsto3gc2v.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs-h2o_scfsto3gc2vopt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-h2oinputs.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OINPUTS/testsuite-none.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2o_scfsto3gc2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp200631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp200631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp200631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp200631gsc2vopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp200631gsc2vopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp200631gsc2vopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp201631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp201631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp201631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp201631gsc2vopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp201631gsc2vopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp201631gsc2vopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp210631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp210631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp210631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp210631gsc2vopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp210631gsc2vopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp210631gsc2vopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp211631gsc2v.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp211631gsc2v.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp211631gsc2v.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp211631gsc2vopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp211631gsc2vopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/h2omp2_mp211631gsc2vopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/testsuite-h2omp2inputs-h2omp2_mp200631gsc2v.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/testsuite-h2omp2inputs-h2omp2_mp200631gsc2vopt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/testsuite-h2omp2inputs-h2omp2_mp201631gsc2v.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/testsuite-h2omp2inputs-h2omp2_mp201631gsc2vopt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/testsuite-h2omp2inputs-h2omp2_mp210631gsc2v.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/testsuite-h2omp2inputs-h2omp2_mp210631gsc2vopt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/testsuite-h2omp2inputs-h2omp2_mp211631gsc2v.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/testsuite-h2omp2inputs-h2omp2_mp211631gsc2vopt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/H2OMP2INPUTS/testsuite-h2omp2inputs.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/hfch2opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/hfch2opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/hfch2opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/hfh2ofreq.ckpt.hess (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/hfh2ofreq.hess (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/hfh2ofreq.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/hfh2ofreq.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/hfh2ofreq.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/hfh2oopt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/hfh2oopt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/hfh2oopt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/ksh2o.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/ksh2o.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/ksh2o.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/ksh2oco.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/ksh2oco.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/ksh2oco.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/mp2h2o.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/mp2h2o.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/mp2h2o.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/rhfch2opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/rhfch2opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/rhfch2opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/rksch2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/rksch2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/rksch2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/testsuite-inputinputs-hfch2opt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/testsuite-inputinputs-hfh2ofreq.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/testsuite-inputinputs-hfh2oopt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/testsuite-inputinputs-ksh2o.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/testsuite-inputinputs-ksh2oco.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/testsuite-inputinputs-mp2h2o.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/testsuite-inputinputs-rhfch2opt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/testsuite-inputinputs-rksch2.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/testsuite-inputinputs-uhfch2opt.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/testsuite-inputinputs-uksch2.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/testsuite-inputinputs-zapt2ch2.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/testsuite-inputinputs.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/uhfch2opt.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/uhfch2opt.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/uhfch2opt.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/uksch2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/uksch2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/uksch2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/zapt2ch2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/zapt2ch2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/INPUTINPUTS/zapt2ch2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clhf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clhf.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clhf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_b3lyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_b3lyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_b3lyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_b88.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_b88.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_b88.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_blyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_blyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_blyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_kmlyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_kmlyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_kmlyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_lsdax.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_lsdax.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_lsdax.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_xa.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_xa.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/clks_xa.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsoshf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsoshf.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsoshf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_b3lyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_b3lyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_b3lyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_b88.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_b88.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_b88.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_blyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_blyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_blyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_kmlyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_kmlyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_kmlyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_lsdax.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_lsdax.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_lsdax.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_xa.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_xa.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/hsosks_xa.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/osshf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/osshf.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/osshf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/qmmm1.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/qmmm1.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/qmmm1.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/qmmm2.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/qmmm2.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/qmmm2.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/tchf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/tchf.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/tchf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-clhf.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-clks_b3lyp.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-clks_b88.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-clks_blyp.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-clks_kmlyp.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-clks_lsdax.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-clks_xa.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-hsoshf.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-hsosks_b3lyp.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-hsosks_b88.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-hsosks_blyp.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-hsosks_kmlyp.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-hsosks_lsdax.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-hsosks_xa.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-osshf.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-qmmm1.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-qmmm2.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-tchf.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-uhf.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-uks_b3lyp.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-uks_b88.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-uks_blyp.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-uks_kmlyp.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-uks_lsdax.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs-uks_xa.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/testsuite-methodsinputs.at (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uhf.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uhf.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uhf.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_b3lyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_b3lyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_b3lyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_b88.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_b88.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_b88.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_blyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_blyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_blyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_kmlyp.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_kmlyp.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_kmlyp.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_lsdax.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_lsdax.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_lsdax.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_xa.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_xa.out (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/METHODSINPUTS/uks_xa.qci (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/Makefile.am (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/atlocal.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/molecuilder_mpqc.in (added) * ThirdParty/mpqc_open/src/bin/mpqc/validate/testsuite.at (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/Makefile.am (modified) * tests/regression/Makefile.am (modified) Converted validate subfolder into autotest suite. - so long only ... Thu, 02 Mar 2017 12:28:37 GMT Frederik Heber <heber@…> [bbc982] * ThirdParty/mpqc_open/configure.ac (modified) * ThirdParty/mpqc_open/src/lib/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/chemistry/cca/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/util/group/Makefile.am (modified) Various fixes to mpqc_open's configure.ac. - using ... Thu, 02 Mar 2017 12:28:37 GMT Frederik Heber <heber@…> [72461c] * ThirdParty/mpqc_open/configure.ac (modified) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/moltest.cc (modified) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/chemistry/qc/psi/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/chemistry/solvent/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/math/isosurf/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/math/optimize/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/math/scmat/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/scconfig.h.in (modified) * ThirdParty/mpqc_open/src/lib/util/group/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/util/keyval/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/util/misc/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/util/render/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/util/state/Makefile.am (modified) SRCDIR is now added to CPPFLAGS of tests that need it, added .in file ... Thu, 02 Mar 2017 12:28:36 GMT Frederik Heber <heber@…> [12add2] * ThirdParty/mpqc_open/configure.ac (modified) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/moltest.cc (modified) * ThirdParty/mpqc_open/src/lib/scconfig.h.in (modified) Added missing SRCDIR define to scconfig.h Thu, 02 Mar 2017 12:28:36 GMT Frederik Heber <heber@…> [e2a57d] * ThirdParty/mpqc_open/configure.ac (modified) * ThirdParty/mpqc_open/src/lib/Makefile.am (modified) Excluded chemistry/cca from building. Thu, 02 Mar 2017 12:28:36 GMT Frederik Heber <heber@…> [00f983] * ThirdParty/mpqc_open/configure.ac (modified) * ThirdParty/mpqc_open/src/Makefile.am (modified) * ThirdParty/mpqc_open/src/createMakefile.am.sh (modified) * ThirdParty/mpqc_open/src/lib/Makefile.am (modified) * ThirdParty/mpqc_open/src/lib/chemistry/Makefile.am (deleted) * ThirdParty/mpqc_open/src/lib/chemistry/cca/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/chemistry/molecule/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/basis/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/cints/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/dft/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intcca/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/intv3/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbpt/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/mbptr12/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/psi/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/scf/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/chemistry/solvent/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/math/isosurf/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/math/optimize/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/math/scmat/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/math/symmetry/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/util/class/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/util/container/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/util/group/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/util/keyval/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/util/misc/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/util/options/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/util/psi3/libpsio/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/util/ref/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/util/render/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/util/state/Makefile.am (added) Added generated Makefile.am's. Thu, 02 Mar 2017 12:28:36 GMT Frederik Heber <heber@…> [41bd14] * ThirdParty/mpqc_open/Makefile.am (modified) * ThirdParty/mpqc_open/configure.ac (modified) Adding Makefile.am's for all subfolders of src/lib. Thu, 02 Mar 2017 12:28:36 GMT Frederik Heber <heber@…> [5b2946] * ThirdParty/mpqc_open/.gitignore (modified) * ThirdParty/mpqc_open/AUTHORS (added) * ThirdParty/mpqc_open/INSTALL (added) * ThirdParty/mpqc_open/Makefile (deleted) * ThirdParty/mpqc_open/Makefile.am (added) * ThirdParty/mpqc_open/NEWS (added) * ThirdParty/mpqc_open/aclocal.m4 (deleted) * ThirdParty/mpqc_open/bin/Makefile (deleted) * ThirdParty/mpqc_open/bin/class2tex (deleted) * ThirdParty/mpqc_open/bin/config.guess (deleted) * ThirdParty/mpqc_open/bin/config.sub (deleted) * ThirdParty/mpqc_open/bin/convertbasis.pl (deleted) * ThirdParty/mpqc_open/bin/getnwbas.pl (deleted) * ThirdParty/mpqc_open/bin/incinstall (deleted) * ThirdParty/mpqc_open/bin/install-sh (deleted) * ThirdParty/mpqc_open/bin/ltmain.sh (deleted) * ThirdParty/mpqc_open/bin/parsenwbas.pl (deleted) * ThirdParty/mpqc_open/bin/rmdotdot (deleted) * ThirdParty/mpqc_open/bin/runc++ (deleted) * ThirdParty/mpqc_open/bin/sc-config.dox (deleted) * ThirdParty/mpqc_open/bin/sc-config.in (deleted) * ThirdParty/mpqc_open/bin/sc-libtool.dox (deleted) * ThirdParty/mpqc_open/bin/sc-mkf77sym.dox (deleted) * ThirdParty/mpqc_open/bootstrap (added) * ThirdParty/mpqc_open/configure (deleted) * ThirdParty/mpqc_open/configure.ac (modified) * ThirdParty/mpqc_open/m4/cca.m4 (added) * ThirdParty/mpqc_open/src/Makefile (deleted) * ThirdParty/mpqc_open/src/bin/Makefile (deleted) * ThirdParty/mpqc_open/src/bin/molrender/LIBS.h (deleted) * ThirdParty/mpqc_open/src/bin/molrender/Makefile (deleted) * ThirdParty/mpqc_open/src/bin/molrender/main.cc (deleted) * ThirdParty/mpqc_open/src/bin/molrender/molrender.dox (deleted) * ThirdParty/mpqc_open/src/bin/molrender/molrender.in (deleted) * ThirdParty/mpqc_open/src/bin/molrender/tkmolrender.in (deleted) * ThirdParty/mpqc_open/src/bin/mpqc/Makefile (deleted) * ThirdParty/mpqc_open/src/bin/mpqc/Makefile.am (added) * ThirdParty/mpqc_open/src/bin/mpqc/ccarun.in (deleted) * ThirdParty/mpqc_open/src/bin/mpqc/ccarunproc (deleted) * ThirdParty/mpqc_open/src/bin/mpqc/scdirlist.h (added) * ThirdParty/mpqc_open/src/bin/scls/LIBS.h (deleted) * ThirdParty/mpqc_open/src/bin/scls/Makefile (deleted) * ThirdParty/mpqc_open/src/bin/scls/scls.cc (deleted) * ThirdParty/mpqc_open/src/bin/scls/scls.dox (deleted) * ThirdParty/mpqc_open/src/bin/scpr/LIBS.h (deleted) * ThirdParty/mpqc_open/src/bin/scpr/Makefile (deleted) * ThirdParty/mpqc_open/src/bin/scpr/scpr.cc (deleted) * ThirdParty/mpqc_open/src/bin/scpr/scpr.dox (deleted) * ThirdParty/mpqc_open/src/lib/Makefile (deleted) * ThirdParty/mpqc_open/src/lib/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/chemistry/Makefile (deleted) * ThirdParty/mpqc_open/src/lib/chemistry/Makefile.am (added) * ThirdParty/mpqc_open/src/lib/scconfig.h.in (modified) configure.ac working, mpqc compiles, linking fails. Thu, 02 Mar 2017 07:39:59 GMT Frederik Heber <heber@…> [482400e] * Makefile.am (modified) * ThirdParty/mpqc_open/aclocal.m4 (modified) * ThirdParty/mpqc_open/bin/ltmain.sh (modified) * ThirdParty/mpqc_open/configure (modified) * ThirdParty/mpqc_open/configure.ac (moved) * ThirdParty/mpqc_open/src/bin/mpqc/Makefile (modified) * ThirdParty/mpqc_open/src/lib/scconfig.h.in (modified) * configure.ac (modified) Changes to mpqc_open to be usable as autoconf subdir.