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#ifndef __FORTAN_WRAP_DEFINES_H__ |
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#ifndef __FORTAN_WRAP_DEFINES_H__ |
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#ifndef __FORTRAN_WRAP_DEFINES_H__ |
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#define __FORTRAN_WRAP_DEFINES_H__ |
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// this defines some function lists, that are too long to keep track |
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// of everywhere |
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#define newAtypeList ( int* ident, double* mass, double* epslon, \ |
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double* sigma, int* isDipole, int* isSSd, double* dipole, double* w0, \ |
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double* v0, int* status ) |
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#define makeAtypeList ( int* unique_ident, \ |
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int* isLJ, int* isSticky, int* isDipole, int* isGB, \ |
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double* lj_epslon, double* lj_sigma, \ |
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double* dipole_moment, double* w0, double* v0,\ |
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double* GB_sigma, double* GB_l2b_ratio, double* GB_eps, \ |
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double* GB_eps_ratio, double* GB_mu, double* GB_nu, \ |
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int* status ) |
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#define initFortranFFList ( int *nLocal, int *identArray, int *isError ) |
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#define initFortranFFList ( ff_type* the_FFinfo, int *isError ) |
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#define doForceLoopList ( double* positionArray,double* forceArray, \ |
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double* potentialEnergy, double* tau, short int* doPotentialCalc, \ |
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int* isError ) |
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#define doForceLoopList ( double* positionArray, double* RotationMatrixArray,\ |
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double *dipoleMomentArray, double unitVectorArray_l, double* forceArray,\ |
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double *torqueArray, double* StressTensor, double* potentialEnergy,\ |
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short int* doPotentialCalc, int* isError ) |
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#define setFortanSimList ( simtype* the_Info, int* isError ) |
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#define setFortranSimList ( simtype* the_Info, int* isError ) |
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#ifdef IS_MPI |
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