AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
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1 | % emacs should use -*- KeyVal -*- mode
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2 | mpqc: (
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3 | checkpoint = no
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4 | savestate = no
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5 | restart = yes
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6 | restart_file = "h2o-rhf-sto3g.wfn"
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7 | do_gradient = yes
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8 | )
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9 |
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