source: ThirdParty/mpqc_open/src/bin/mpqc/sample@ 866dec

AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision
Name Size Rev Age Author Last Change
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tsguesshess.in 1.5 KB a844d8   55 years (none)
ts.in 2.7 KB a844d8   55 years (none)
scfoptguesshess.in 1.3 KB a844d8   55 years (none)
scfopt.in 1011 bytes a844d8   55 years (none)
scffreq.in 682 bytes a844d8   55 years (none)
scfckpt.in 659 bytes a844d8   55 years (none)
scf.in 606 bytes a844d8   55 years (none)
savestate_1_scf.in 158 bytes a844d8   55 years (none)
savestate_1_mp2.in 821 bytes a844d8   55 years (none)
savestate_0_scf.in 637 bytes a844d8   55 years (none)
newton.in 1.4 KB a844d8   55 years (none)
mp2r12ckpt.in 1021 bytes a844d8   55 years (none)
mp2r12.in 982 bytes a844d8   55 years (none)
mp2.in 739 bytes a844d8   55 years (none)
mancoor.in 2.7 KB a844d8   55 years (none)
hbondopt.in 1.2 KB a844d8   55 years (none)
fixed.in 1.2 KB a844d8   55 years (none)
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