source: ThirdParty/mpqc_open/src/bin/mpqc/sample@ 3b74fa

Action_Thermostats Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 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
Name Size Rev Age Author Last Change
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fixed.in 1.2 KB ​ a844d8   56 years (none)
hbondopt.in 1.2 KB ​ a844d8   56 years (none)
mancoor.in 2.7 KB ​ a844d8   56 years (none)
mp2.in 739 bytes ​ a844d8   56 years (none)
mp2r12.in 982 bytes ​ a844d8   56 years (none)
mp2r12ckpt.in 1021 bytes ​ a844d8   56 years (none)
newton.in 1.4 KB ​ a844d8   56 years (none)
savestate_0_scf.in 637 bytes ​ a844d8   56 years (none)
savestate_1_mp2.in 821 bytes ​ a844d8   56 years (none)
savestate_1_scf.in 158 bytes ​ a844d8   56 years (none)
scf.in 606 bytes ​ a844d8   56 years (none)
scfckpt.in 659 bytes ​ a844d8   56 years (none)
scffreq.in 682 bytes ​ a844d8   56 years (none)
scfopt.in 1011 bytes ​ a844d8   56 years (none)
scfoptguesshess.in 1.3 KB ​ a844d8   56 years (none)
ts.in 2.7 KB ​ a844d8   56 years (none)
tsguesshess.in 1.5 KB ​ a844d8   56 years (none)
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