AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
Candidate_v1.7.1
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
stable
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Last change
on this file since 8c6b68 was 310445, checked in by Frederik Heber <frederik.heber@…>, 9 years ago |
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Added RandomPerturbationAction.
- this should be when doing structural optimization for getting given
configurations out of ambivalent states, e.g. a water molecule whose
three atoms define a straight line.
- note that we need to use a sensible random number distribution, the
default is not doing what's expected. Added to docu.
- TESTS: Added regression test with undo/redo.
- DOCU: Added documentation to userguide.
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Property mode
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100644
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File size:
95 bytes
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| 2 | created for AtomsRandomPerturbation on 2017-04-02 21:27
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| 4 | H 9.3 10 10
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| 5 | H 10.7 10 10
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