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Searched refs:numOfAtomNeigh (Results 1 – 12 of 12) sorted by relevance

/dports/science/openkim/openkim-api-v1.1.1/EXAMPLEs/MODELs/ex_model_Ne_P_fastLJ/
H A Dex_model_Ne_P_fastLJ.c106 int numOfAtomNeigh; in neigh_pure_h_compute() local
221 for (jj = 0; jj < numOfAtomNeigh; ++ jj) in neigh_pure_h_compute()
297 for (jj = 0; jj < numOfAtomNeigh; ++ jj) in neigh_pure_h_compute()
385 int numOfAtomNeigh; in neigh_pure_f_compute() local
498 for (jj = 0; jj < numOfAtomNeigh; ++ jj) in neigh_pure_f_compute()
573 for (jj = 0; jj < numOfAtomNeigh; ++ jj) in neigh_pure_f_compute()
659 int numOfAtomNeigh; in neigh_rvec_f_compute() local
772 for (jj = 0; jj < numOfAtomNeigh; ++ jj) in neigh_rvec_f_compute()
847 for (jj = 0; jj < numOfAtomNeigh; ++ jj) in neigh_rvec_f_compute()
933 int numOfAtomNeigh; in mi_opbc_h_compute() local
[all …]
/dports/science/openkim/openkim-api-v1.1.1/DOCs/TEMPLATEs/
H A Dmodel_El_P_Template.c136 int numOfAtomNeigh; in compute() local
332 ier = KIM_API_get_neigh(pkim, 0, 0, &currentAtom, &numOfAtomNeigh, in compute()
353 ier = KIM_API_get_neigh(pkim, 0, 1, &currentAtom, &numOfAtomNeigh, in compute()
377 numOfAtomNeigh = *nAtoms - (i + 1); in compute()
378 for (k = 0; k < numOfAtomNeigh; ++k) in compute()
386 ier = KIM_API_get_neigh(pkim, 1, i, &currentAtom, &numOfAtomNeigh, in compute()
398 for (jj = 0; jj < numOfAtomNeigh; ++ jj) in compute()
H A Dmodel_driver_P_Template.c245 int numOfAtomNeigh; in compute() local
356 ier = (*get_neigh)(&pkim, &zero, &zero, &currentAtom, &numOfAtomNeigh, in compute()
377 ier = (*get_neigh)(&pkim, &zero, &one, &currentAtom, &numOfAtomNeigh, in compute()
401 numOfAtomNeigh = *nAtoms - (i + 1); in compute()
402 for (k = 0; k < numOfAtomNeigh; ++k) in compute()
412 &currentAtom, &numOfAtomNeigh, in compute()
424 for (jj = 0; jj < numOfAtomNeigh; ++ jj) in compute()
/dports/science/openkim/openkim-api-v1.1.1/EXAMPLEs/MODELs/ex_model_Ar_P_MLJ_C/
H A Dex_model_Ar_P_MLJ_C.c146 int numOfAtomNeigh; in compute() local
342 ier = KIM_API_get_neigh(pkim, 0, 0, &currentAtom, &numOfAtomNeigh, in compute()
363 ier = KIM_API_get_neigh(pkim, 0, 1, &currentAtom, &numOfAtomNeigh, in compute()
387 numOfAtomNeigh = *nAtoms - (i + 1); in compute()
388 for (k = 0; k < numOfAtomNeigh; ++k) in compute()
396 ier = KIM_API_get_neigh(pkim, 1, i, &currentAtom, &numOfAtomNeigh, in compute()
408 for (jj = 0; jj < numOfAtomNeigh; ++ jj) in compute()
/dports/science/openkim/openkim-api-v1.1.1/EXAMPLEs/MODELs/ex_model_Ne_P_MLJ_NEIGH_RVEC_F/
H A Dex_model_Ne_P_MLJ_NEIGH_RVEC_F.c98 int numOfAtomNeigh; in compute() local
208 … ier = KIM_API_get_neigh(pkim, 0, 0, &currentAtom, &numOfAtomNeigh, &neighListOfCurrentAtom, &Rij); in compute()
217 … ier = KIM_API_get_neigh(pkim, 0, 1, &currentAtom, &numOfAtomNeigh, &neighListOfCurrentAtom, &Rij); in compute()
223 for (jj = 0; jj < numOfAtomNeigh; ++ jj) in compute()
279 … ier = KIM_API_get_neigh(pkim, 0, 1, &currentAtom, &numOfAtomNeigh, &neighListOfCurrentAtom, &Rij); in compute()
/dports/science/openkim/openkim-api-v1.1.1/EXAMPLEs/MODEL_DRIVERs/ex_model_driver_P_Morse/
H A Dex_model_driver_P_Morse.c264 int numOfAtomNeigh; in compute() local
376 ier = (*get_neigh)(&pkim, &zero, &zero, &currentAtom, &numOfAtomNeigh, in compute()
397 ier = (*get_neigh)(&pkim, &zero, &one, &currentAtom, &numOfAtomNeigh, in compute()
421 numOfAtomNeigh = *nAtoms - (i + 1); in compute()
422 for (k = 0; k < numOfAtomNeigh; ++k) in compute()
432 &currentAtom, &numOfAtomNeigh, in compute()
444 for (jj = 0; jj < numOfAtomNeigh; ++ jj) in compute()
/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EAM_IMD__MD_113599595631_003/
H A DEAM_IMD.c86 int numOfAtomNeigh; in compute() local
227 0, i, &numOfAtomNeigh, &neighListOfCurrentAtom); in compute()
239 for (jj = 0; jj < numOfAtomNeigh; jj++) in compute()
364 0, i, &numOfAtomNeigh, &neighListOfCurrentAtom); in compute()
376 for (jj = 0; jj < numOfAtomNeigh; jj++) in compute()
/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/Morse_SigmoidalSmoothed__MD_199191711608_002/
H A DMorse_SigmoidalSmoothed.c301 int numOfAtomNeigh; in compute() local
405 &numOfAtomNeigh, in compute()
417 for (jj = 0; jj < numOfAtomNeigh; ++jj) in compute()
/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/Morse_QuinticSmoothed__MD_093895395358_003/
H A DMorse_QuinticSmoothed.c325 int numOfAtomNeigh; in compute() local
429 &numOfAtomNeigh, in compute()
441 for (jj = 0; jj < numOfAtomNeigh; ++jj) in compute()
/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/Morse_Shifted__MD_552566534109_004/
H A DMorse_Shifted.c295 int numOfAtomNeigh; in compute() local
420 &numOfAtomNeigh, in compute()
431 for (jj = 0; jj < numOfAtomNeigh; ++jj) in compute()
/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/Morse_EIP__MD_429561112321_002/
H A DMorse_EIP.c389 int numOfAtomNeigh; in compute() local
482 &numOfAtomNeigh, in compute()
495 for (jj = 0; jj < numOfAtomNeigh; ++jj) in compute()
/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/MFF__MD_514777050453_001/
H A DMFF.c1357 int numOfAtomNeigh; in compute() local
1488 &numOfAtomNeigh, in compute()
1501 for (jj = 0; jj < numOfAtomNeigh; ++jj) in compute()
1623 if (jj == numOfAtomNeigh - 1) continue; in compute()
1625 for (kk = jj + 1; kk < numOfAtomNeigh; ++kk) in compute()
1964 for (ll = kk + 1; ll < numOfAtomNeigh; ++ll) in compute()