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// here we declare the function pointer typedefs for fortran functions |
| 8 |
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| 9 |
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extern "C" { |
| 10 |
< |
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| 10 |
> |
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| 11 |
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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, |
| 18 |
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double* lj_epslon, |
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double* lj_sigma, |
| 20 |
+ |
double* charge, |
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double* dipole_moment, |
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int* status ); |
| 23 |
< |
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| 23 |
> |
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| 24 |
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typedef void (*newEAMtype_TD)( double* lattice_constant, |
| 25 |
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int* eam_nrho, |
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double* eam_drho, |
| 42 |
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double* unitVectorArray_l, |
| 43 |
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double* forceArray, |
| 44 |
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double *torqueArray, |
| 45 |
+ |
double* rcArray, |
| 46 |
+ |
double* massRatioArray, |
| 47 |
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double* StressTensor, |
| 48 |
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double* potentialEnergy, |
| 49 |
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short int* doPotentialCalc, |