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// here we declare the function pointer typedefs for fortran functions |
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extern "C" { |
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< |
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| 10 |
> |
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typedef void (*makeAtype_TD) ( int* unique_ident, |
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int* isLJ, |
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int* isSticky, |
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int* isDipole, |
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int* isGB, |
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int* isEAM, |
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+ |
int* isCharge, |
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double* lj_epslon, |
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double* lj_sigma, |
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+ |
double* charge, |
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double* dipole_moment, |
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int* status ); |
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< |
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| 23 |
> |
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typedef void (*newEAMtype_TD)( double* lattice_constant, |
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int* eam_nrho, |
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double* eam_drho, |
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int *isError ); |
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typedef void (*doForceLoop_TD)( double* positionArray, |
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+ |
double* rcArray, |
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double* RotationMatrixArray, |
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double* unitVectorArray_l, |
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double* forceArray, |
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int* identArray, |
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int* nLocalExcludes, |
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int* excludesLocalArray, |
| 73 |
< |
int* nGloabalsExcludes, |
| 73 |
> |
int* nGlobalExcludes, |
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int* excludesGlobalArray, |
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int* molMembershipArray, |
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+ |
double* mfact, |
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+ |
int* ngroup, |
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+ |
int* groupList, |
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+ |
int* groupStart, |
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int* isError ); |
| 81 |
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| 82 |
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typedef void (*setFortranBox_TD) ( double *Hmat, |
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int* orthoRhombic ); |
| 85 |
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| 86 |
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typedef void (*notifyFortranCutOff_TD) ( double *rCut, |
| 87 |
< |
double *rList, |
| 88 |
< |
double *ecr, |
| 82 |
< |
double *est ); |
| 87 |
> |
double *rSw, |
| 88 |
> |
double *rList ); |
| 89 |
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} |
| 90 |
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| 91 |
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