source: ThirdParty/mpqc_open/src/bin/mpqc/validate/methods@ 70f2a1

Action_Thermostats Adding_Graph_to_ChangeBondActions 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 Example_ManyWaysToTranslateAtom 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 TremoloParser_MultipleTimesteps stable
Name Size Rev Age Author Last Change
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uks_xa.qci 30 bytes 5169d1b   56 years (none)
uks_xa.in 736 bytes 5169d1b   56 years (none)
uks_lsdax.qci 30 bytes 5169d1b   56 years (none)
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uks_blyp.qci 30 bytes 5169d1b   56 years (none)
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uks_b88.qci 30 bytes 5169d1b   56 years (none)
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uhf.qci 30 bytes 5169d1b   56 years (none)
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mp2r12ap_cabs+.qci 29 bytes 5169d1b   56 years (none)
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mp2r12ap_abs.qci 29 bytes 5169d1b   56 years (none)
mp2r12ap_abs.in 6.6 KB 5169d1b   56 years (none)
mp2r12ap_abs+.qci 29 bytes 5169d1b   56 years (none)
mp2r12ap_abs+.in 6.6 KB 5169d1b   56 years (none)
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mp2r12ap_+gbc.in 6.6 KB 5169d1b   56 years (none)
mp2r12ap_+gbc+ebc.qci 29 bytes 5169d1b   56 years (none)
mp2r12ap_+gbc+ebc.in 6.6 KB 5169d1b   56 years (none)
mp2r12ap_+ebc.qci 29 bytes 5169d1b   56 years (none)
mp2r12ap_+ebc.in 6.6 KB 5169d1b   56 years (none)
hsosks_xa.qci 30 bytes 5169d1b   56 years (none)
hsosks_xa.in 742 bytes 5169d1b   56 years (none)
hsosks_lsdax.qci 30 bytes 5169d1b   56 years (none)
hsosks_lsdax.in 743 bytes 5169d1b   56 years (none)
hsosks_kmlyp.qci 30 bytes 5169d1b   56 years (none)
hsosks_kmlyp.in 754 bytes 5169d1b   56 years (none)
hsosks_blyp.qci 30 bytes 5169d1b   56 years (none)
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hsosks_b88.qci 30 bytes 5169d1b   56 years (none)
hsosks_b88.in 861 bytes 5169d1b   56 years (none)
hsosks_b3lyp.qci 30 bytes 5169d1b   56 years (none)
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hsoshf.qci 30 bytes 5169d1b   56 years (none)
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clks_xa.qci 30 bytes 5169d1b   56 years (none)
clks_xa.in 772 bytes 5169d1b   56 years (none)
clks_lsdax.qci 30 bytes 5169d1b   56 years (none)
clks_lsdax.in 773 bytes 5169d1b   56 years (none)
clks_kmlyp.qci 30 bytes 5169d1b   56 years (none)
clks_kmlyp.in 784 bytes 5169d1b   56 years (none)
clks_blyp.qci 30 bytes 5169d1b   56 years (none)
clks_blyp.in 924 bytes 5169d1b   56 years (none)
clks_b88.qci 30 bytes 5169d1b   56 years (none)
clks_b88.in 891 bytes 5169d1b   56 years (none)
clks_b3lyp.qci 30 bytes 5169d1b   56 years (none)
clks_b3lyp.in 975 bytes 5169d1b   56 years (none)
clhf.qci 30 bytes 5169d1b   56 years (none)
clhf.in 735 bytes 5169d1b   56 years (none)
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