source: ThirdParty/mpqc_open/src/lib/chemistry/qc/scf@ 6458e7

AutomationFragmentation_failures Candidate_v1.6.1 Candidate_v1.7.0 Candidate_v1.7.1 ChemicalSpaceEvaluator Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision stable
Name Size Rev Age Author Last Change
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uscf.h 4.2 KB ​ 5169d1b   57 years (none)
uscf.cc 33.8 KB ​ 5169d1b   57 years (none)
uhftmpl.h 2.6 KB ​ 5169d1b   57 years (none)
uhf.h 1.9 KB ​ 5169d1b   57 years (none)
uhf.cc 8.3 KB ​ 5169d1b   57 years (none)
tmplinst.cc 2.3 KB ​ 5169d1b   57 years (none)
tcscf.h 3.1 KB ​ 5169d1b   57 years (none)
tcscf.cc 23.3 KB ​ 5169d1b   57 years (none)
tchftmpl.h 5.0 KB ​ 5169d1b   57 years (none)
tchf.h 1.7 KB ​ 5169d1b   57 years (none)
tchf.cc 12.1 KB ​ 5169d1b   57 years (none)
tbgrad.h 1.9 KB ​ 5169d1b   57 years (none)
svd.cc 3.9 KB ​ 5169d1b   57 years (none)
scfvector.cc 13.2 KB ​ 5169d1b   57 years (none)
scftest.cc 3.9 KB ​ 5169d1b   57 years (none)
scfops.h 2.5 KB ​ 5169d1b   57 years (none)
scfops.cc 3.9 KB ​ 5169d1b   57 years (none)
scflocal.h 1.8 KB ​ 5169d1b   57 years (none)
scfgradient.cc 6.0 KB ​ 5169d1b   57 years (none)
scf.h 9.4 KB ​ 5169d1b   57 years (none)
scf.cc 20.4 KB ​ 5169d1b   57 years (none)
ossscf.h 3.0 KB ​ 5169d1b   57 years (none)
ossscf.cc 19.2 KB ​ 5169d1b   57 years (none)
osshftmpl.h 4.7 KB ​ 5169d1b   57 years (none)
osshf.h 1.7 KB ​ 5169d1b   57 years (none)
osshf.cc 11.4 KB ​ 5169d1b   57 years (none)
mpqc.in 7.0 KB ​ 5169d1b   57 years (none)
Makefile.am 3.9 KB ​ b7e5b0   10 years FrederikHeber Added files created by tests to DISTCLEANFILES.
Makefile 1.8 KB ​ 5169d1b   57 years (none)
ltbgrad.h 7.1 KB ​ 5169d1b   57 years (none)
linkage.h 1.5 KB ​ 5169d1b   57 years (none)
LIBS.h 213 bytes ​ 5169d1b   57 years (none)
lgbuild.h 10.6 KB ​ 5169d1b   57 years (none)
lbgbuild.h 10.6 KB ​ 5169d1b   57 years (none)
hsosscf.h 5.5 KB ​ 5169d1b   57 years (none)
hsosscf.cc 21.1 KB ​ 5169d1b   57 years (none)
hsoshftmpl.h 2.8 KB ​ 5169d1b   57 years (none)
hsoshf.h 1.8 KB ​ 5169d1b   57 years (none)
hsoshf.cc 8.6 KB ​ 5169d1b   57 years (none)
gbuild.h 1.4 KB ​ 5169d1b   57 years (none)
effh.h 4.0 KB ​ 5169d1b   57 years (none)
effh.cc 4.0 KB ​ 5169d1b   57 years (none)
clscf.h 3.6 KB ​ 5169d1b   57 years (none)
clscf.cc 16.1 KB ​ 5169d1b   57 years (none)
clhftmpl.h 3.8 KB ​ 5169d1b   57 years (none)
clhf.h 1.8 KB ​ 5169d1b   57 years (none)
clhf.cc 7.6 KB ​ 5169d1b   57 years (none)
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