source: ThirdParty/mpqc_open/src/lib/chemistry/qc/dft@ 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
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ukstmpl.h 2.2 KB ​ 5169d1b   57 years (none)
uks.h 2.6 KB ​ 5169d1b   57 years (none)
uks.cc 11.9 KB ​ 5169d1b   57 years (none)
tmplinst.cc 1.2 KB ​ 5169d1b   57 years (none)
Makefile.am 3.3 KB ​ 47b463   10 years FrederikHeber Added all crashing tests to XFAIL. - note that they also crash in the …
Makefile 1.8 KB ​ 5169d1b   57 years (none)
linkage.h 2.5 KB ​ 5169d1b   57 years (none)
LIBS.h 154 bytes ​ 5169d1b   57 years (none)
lebedev.c 112.9 KB ​ 5169d1b   57 years (none)
integrator.h 15.5 KB ​ 5169d1b   57 years (none)
integrator.cc 62.9 KB ​ 5169d1b   57 years (none)
hsoskstmpl.h 2.5 KB ​ 5169d1b   57 years (none)
hsosks.h 2.8 KB ​ 5169d1b   57 years (none)
hsosks.cc 14.3 KB ​ 5169d1b   57 years (none)
functional.h 26.7 KB ​ 5169d1b   57 years (none)
functional.cc 139.1 KB ​ 5169d1b   57 years (none)
dfttest.in 4.2 KB ​ 5169d1b   57 years (none)
dfttest.cc 18.6 KB ​ 5169d1b   57 years (none)
clkstmpl.h 1.9 KB ​ 5169d1b   57 years (none)
clks.h 2.6 KB ​ 5169d1b   57 years (none)
clks.cc 10.9 KB ​ 5169d1b   57 years (none)
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