Action_Thermostats
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
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
TremoloParser_MultipleTimesteps
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| 1 | /*
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| 2 | * SurfaceRandomInserter.hpp
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| 3 | *
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| 4 | * Created on: Apr 03, 2012
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef SURFACERANDOMINSERTER_HPP_
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| 9 | #define SURFACERANDOMINSERTER_HPP_
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| 10 |
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| 11 |
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| 12 | // include config.h
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| 13 | #ifdef HAVE_CONFIG_H
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| 14 | #include <config.h>
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| 15 | #endif
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| 16 |
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| 17 | #include "Filling/Inserter/RandomInserter.hpp"
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| 18 |
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| 19 | #include "LinearAlgebra/Vector.hpp"
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| 20 | #include "Shapes/Shape.hpp"
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| 21 |
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| 22 | /** SurfaceRandomInserter extends RandomInserter such that the given \a Cluster
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| 23 | * is inserted at the given position in such a way as to be aligned perpendicularly
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| 24 | * away from the surface (but with the usual random displacements)
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| 25 | *
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| 26 | * \note We assume that cluster is aligned along the Z axis.
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| 27 | *
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| 28 | */
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| 29 | class SurfaceRandomInserter : public RandomInserter
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| 30 | {
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| 31 | public:
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| 32 | SurfaceRandomInserter(
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| 33 | const Shape & _s,
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| 34 | const Vector &_alignedAxis,
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| 35 | const double _MaxAtomComponent,
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| 36 | const double _MaxMoleculeComponent);
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| 37 | ~SurfaceRandomInserter();
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| 38 |
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| 39 | bool operator()(ClusterInterface::Cluster_impl cluster, const Vector &offset) const;
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| 40 |
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| 41 | private:
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| 42 | const Shape shape;
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| 43 | const Vector alignedAxis;
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| 44 | };
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| 45 |
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| 46 |
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| 47 |
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| 48 | #endif /* SURFACERANDOMINSERTER_HPP_ */
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