Action_Thermostats
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
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Last change
on this file since 3c9ac3 was 310445, checked in by Frederik Heber <frederik.heber@…>, 8 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:
388 bytes
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| 1 | /*
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| 2 | * RandomPerturbationAction.hpp
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| 3 | *
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| 4 | * Created on: Apr 2, 2017
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef RANDOMPERTURBATIONACTION_HPP_
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| 9 | #define RANDOMPERTURBATIONACTION_HPP_
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| 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 | #include "Actions/Action.hpp"
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| 17 |
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| 18 | #include "RandomPerturbationAction.def"
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| 19 | #include "Action_impl_header.hpp"
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| 20 |
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| 21 | #endif /* RANDOMPERTURBATIONACTION_HPP_ */
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