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#ifndef __FORCEFIELDS_H__ |
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#define __FORCEFIELDS_H__ |
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#define MK_STR(s) # s |
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#define STR_DEFINE(t, s) t = MK_STR(s) |
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#include <cstdio> |
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#include <cstdlib> |
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class bend_set{ |
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public: |
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bend_set(){} |
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bend_set(){ isGhost = 0; } |
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~bend_set(){} |
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int ghost; |
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int isGhost; |
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int a; |
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int b; |
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int c; |
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void fastForward( char* stopText, char* searchOwner ); |
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}; |
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// class SSD_FF : public ForceFields{ |
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// public: |
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// SSD_FF(); |
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// virtual ~SSD_FF(); |
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// void initializeAtoms( void ); |
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// void initializeBonds( bond_pair* the_bonds ); |
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// void initializeBends( bend_set* the_bends ); |
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// void initializeTorsions( torsion_set* the_torsions ); |
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// void setSSDfortran( void (*fortranSub)( double* positionArray, |
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// double* forceArray, |
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// double* potentialEnergy, |
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// short int* doPotentialCalc ) ){ |
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// doSSDfortran = fortranSub; |
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// } |
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// void doForces( int ); |
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// private: |
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// void fastForward( char* stopText, char* searchOwner ); |
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// // set our sister fortran module's function to be our own. |
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// void wrapMe( void ); |
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// void (*doSSDfortran)( double* positionArray, |
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// double* forceArray, |
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// double* potentialEnergy, |
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// short int* doPotentialCalc ); |
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// void initFortran( void ); |
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// }; |
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#endif |
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