10 |
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11 |
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#define doForceLoopList ( double* positionArray, double* RotationMatrixArray, double* unitVectorArray_l, double* forceArray, double *torqueArray, double* StressTensor, double* potentialEnergy, short int* doPotentialCalc, short int* doStressCalc, int* isError ) |
12 |
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13 |
– |
#define LJ_new_rcut_List ( double* rcut, int* status ) |
14 |
– |
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13 |
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#define set_sticky_params_List ( double* sticky_w0, double* sticky_v0 ) |
14 |
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15 |
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#define set_gb_pair_params_List ( double* GB_sigma, double* GB_l2b_ratio, double* GB_eps, double* GB_eps_ratio, double* GB_mu, double* GB_nu ) |
16 |
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17 |
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#define setFortranSimList ( simtype* the_Info, int* nGlobal, int* nLocal, int* identArray, int* nLocalExcludes, int* excludesLocalArray, int* nGloabalsExcludes, int* excludesGlobalArray, int* molMembershipArray, int* isError ) |
18 |
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19 |
< |
#define setFortranBoxList ( double *BoxArray ) |
19 |
> |
#define setFortranBoxList ( double *Hmat, double *HmatI, int* orthoRhombic ) |
20 |
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// BoxArray is a length 3 array |
21 |
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22 |
+ |
#define notifyFortranCutOffList ( double *rCut, double *rList, double *ecr, double *est ) |
23 |
+ |
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24 |
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#ifdef IS_MPI |
25 |
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26 |
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#define setFortranMPIlist (mpiSimData* the_mpiPlug, int *nLocal, int* globalIndexArray, int* isError ) |