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// of everywhere |
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#define newAtypeList ( int* ident, double* mass, double* epslon, \ |
8 |
< |
double* sigma, int* isDipole, int* isSSd, double* dipole, double* w0, \ |
9 |
< |
double* v0, int* status ) |
8 |
> |
double* sigma, int* isLJ, int* isSSD, int* isDipole, int* isGB \ |
9 |
> |
double* w0, double* v0, double* dipole, int* status ) |
10 |
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11 |
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#define initFortranFFList ( int *nLocal, int *identArray, int *isError ) |
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13 |
< |
#define doForceLoopList ( double* positionArray,double* forceArray, \ |
14 |
< |
double* potentialEnergy, double* tau, short int* doPotentialCalc, \ |
15 |
< |
int* isError ) |
13 |
> |
#define doForceLoopList ( double* positionArray, double* RotationMatrixArray,\ |
14 |
> |
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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18 |
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#define setFortanSimList ( simtype* the_Info, int* isError ) |
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