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#ifndef __SIMINFO_H__ |
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#define __SIMINFO_H__ |
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#include <map> |
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#include <string> |
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#include <vector> |
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#include "Atom.hpp" |
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#include "Molecule.hpp" |
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#include "AbstractClasses.hpp" |
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#define __C |
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#include "fSimulation.h" |
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#include "fortranWrapDefines.hpp" |
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#include "GenericData.hpp" |
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void printMat9(double A[9]); |
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double matDet3(double m[3][3]); |
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void addProperty(GenericData* prop); |
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GenericData* getProperty(const string& propName); |
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vector<GenericData*> getProperties(); |
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private: |
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double origRcut, origEcr; |
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void (*setFortranBoxSize) setFortranBoxList; |
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void (*notifyFortranCutOffs) notifyFortranCutOffList; |
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//Addtional Properties of SimInfo |
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map<string, GenericData*> properties; |
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}; |
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