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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| 1 | /*
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| 2 | * AverageMoleculeForceAction.def
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| 3 | *
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| 4 | * Created on: Aug 26, 2014
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | // all includes and forward declarations necessary for non-integral types below
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| 9 |
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| 10 | // i.e. there is an integer with variable name Z that can be found in
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| 11 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
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| 12 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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| 13 | #undef paramtypes
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| 14 | #undef paramreferences
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| 15 | #undef paramtokens
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| 16 | #undef paramdescriptions
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| 17 | #undef paramdefaults
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| 18 | #undef paramvalids
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| 19 |
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| 20 | // some defines for all the names, you may use ACTION, STATE and PARAMS
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| 21 | #define CATEGORY Analysis
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| 22 | #define MENUNAME "analysis"
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| 23 | #define MENUPOSITION 5
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| 24 | #define ACTIONNAME AverageMoleculeForce
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| 25 | #define TOKEN "average-molecule-force"
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| 26 |
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| 27 | // finally the information stored in the ActionTrait specialization
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| 28 | #define DESCRIPTION "calculates the average force acting on the atoms of per selected molecule"
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| 29 | #undef SHORTFORM
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