source: ThirdParty/mpqc_open/src/lib/chemistry/qc/wfn@ 7516f6

Action_Thermostats Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 Candidate_v1.7.0 Candidate_v1.7.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision stable
Name Size Rev Age Author Last Change
../
wfntest.kv 6.4 KB ​ 5169d1b   57 years (none)
wfntest.cc 4.8 KB ​ 5169d1b   57 years (none)
wfn.h 9.2 KB ​ 5169d1b   57 years (none)
wfn.cc 31.7 KB ​ 5169d1b   57 years (none)
solvent.h 2.1 KB ​ 5169d1b   57 years (none)
solvent.cc 15.7 KB ​ 5169d1b   57 years (none)
orbital.h 1.6 KB ​ 5169d1b   57 years (none)
orbital.cc 2.7 KB ​ 5169d1b   57 years (none)
obwfn.h 7.7 KB ​ 5169d1b   57 years (none)
obwfn.cc 16.7 KB ​ 5169d1b   57 years (none)
natorbval.cc 2.7 KB ​ 5169d1b   57 years (none)
nao.cc 27.7 KB ​ 5169d1b   57 years (none)
Makefile.am 3.3 KB ​ b7e5b0   10 years FrederikHeber Added files created by tests to DISTCLEANFILES.
Makefile 1.7 KB ​ 5169d1b   57 years (none)
linkage.h 1.5 KB ​ 5169d1b   57 years (none)
LIBS.h 255 bytes ​ 5169d1b   57 years (none)
hcorewfn.cc 8.1 KB ​ 5169d1b   57 years (none)
eht.h 2.0 KB ​ 5169d1b   57 years (none)
eht.cc 10.1 KB ​ 5169d1b   57 years (none)
densval.cc 4.2 KB ​ 5169d1b   57 years (none)
density.h 8.0 KB ​ 5169d1b   57 years (none)
density.cc 22.4 KB ​ 5169d1b   57 years (none)
accum.h 2.4 KB ​ 5169d1b   57 years (none)
accum.cc 3.8 KB ​ 5169d1b   57 years (none)
  • Property mode set to 040000
Note: See TracBrowser for help on using the repository browser.