/dports/science/openkim/openkim-api-v1.1.1/EXAMPLEs/MODELs/ex_model_Ne_P_fastLJ/ |
H A D | ex_model_Ne_P_fastLJ.c | 106 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 …]
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/dports/science/openkim/openkim-api-v1.1.1/DOCs/TEMPLATEs/ |
H A D | model_El_P_Template.c | 136 int numOfAtomNeigh; in compute() local 332 ier = KIM_API_get_neigh(pkim, 0, 0, ¤tAtom, &numOfAtomNeigh, in compute() 353 ier = KIM_API_get_neigh(pkim, 0, 1, ¤tAtom, &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, ¤tAtom, &numOfAtomNeigh, in compute() 398 for (jj = 0; jj < numOfAtomNeigh; ++ jj) in compute()
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H A D | model_driver_P_Template.c | 245 int numOfAtomNeigh; in compute() local 356 ier = (*get_neigh)(&pkim, &zero, &zero, ¤tAtom, &numOfAtomNeigh, in compute() 377 ier = (*get_neigh)(&pkim, &zero, &one, ¤tAtom, &numOfAtomNeigh, in compute() 401 numOfAtomNeigh = *nAtoms - (i + 1); in compute() 402 for (k = 0; k < numOfAtomNeigh; ++k) in compute() 412 ¤tAtom, &numOfAtomNeigh, in compute() 424 for (jj = 0; jj < numOfAtomNeigh; ++ jj) in compute()
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/dports/science/openkim/openkim-api-v1.1.1/EXAMPLEs/MODELs/ex_model_Ar_P_MLJ_C/ |
H A D | ex_model_Ar_P_MLJ_C.c | 146 int numOfAtomNeigh; in compute() local 342 ier = KIM_API_get_neigh(pkim, 0, 0, ¤tAtom, &numOfAtomNeigh, in compute() 363 ier = KIM_API_get_neigh(pkim, 0, 1, ¤tAtom, &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, ¤tAtom, &numOfAtomNeigh, in compute() 408 for (jj = 0; jj < numOfAtomNeigh; ++ jj) in compute()
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/dports/science/openkim/openkim-api-v1.1.1/EXAMPLEs/MODELs/ex_model_Ne_P_MLJ_NEIGH_RVEC_F/ |
H A D | ex_model_Ne_P_MLJ_NEIGH_RVEC_F.c | 98 int numOfAtomNeigh; in compute() local 208 … ier = KIM_API_get_neigh(pkim, 0, 0, ¤tAtom, &numOfAtomNeigh, &neighListOfCurrentAtom, &Rij); in compute() 217 … ier = KIM_API_get_neigh(pkim, 0, 1, ¤tAtom, &numOfAtomNeigh, &neighListOfCurrentAtom, &Rij); in compute() 223 for (jj = 0; jj < numOfAtomNeigh; ++ jj) in compute() 279 … ier = KIM_API_get_neigh(pkim, 0, 1, ¤tAtom, &numOfAtomNeigh, &neighListOfCurrentAtom, &Rij); in compute()
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/dports/science/openkim/openkim-api-v1.1.1/EXAMPLEs/MODEL_DRIVERs/ex_model_driver_P_Morse/ |
H A D | ex_model_driver_P_Morse.c | 264 int numOfAtomNeigh; in compute() local 376 ier = (*get_neigh)(&pkim, &zero, &zero, ¤tAtom, &numOfAtomNeigh, in compute() 397 ier = (*get_neigh)(&pkim, &zero, &one, ¤tAtom, &numOfAtomNeigh, in compute() 421 numOfAtomNeigh = *nAtoms - (i + 1); in compute() 422 for (k = 0; k < numOfAtomNeigh; ++k) in compute() 432 ¤tAtom, &numOfAtomNeigh, in compute() 444 for (jj = 0; jj < numOfAtomNeigh; ++ jj) in compute()
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/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EAM_IMD__MD_113599595631_003/ |
H A D | EAM_IMD.c | 86 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()
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/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/Morse_SigmoidalSmoothed__MD_199191711608_002/ |
H A D | Morse_SigmoidalSmoothed.c | 301 int numOfAtomNeigh; in compute() local 405 &numOfAtomNeigh, in compute() 417 for (jj = 0; jj < numOfAtomNeigh; ++jj) in compute()
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/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/Morse_QuinticSmoothed__MD_093895395358_003/ |
H A D | Morse_QuinticSmoothed.c | 325 int numOfAtomNeigh; in compute() local 429 &numOfAtomNeigh, in compute() 441 for (jj = 0; jj < numOfAtomNeigh; ++jj) in compute()
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/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/Morse_Shifted__MD_552566534109_004/ |
H A D | Morse_Shifted.c | 295 int numOfAtomNeigh; in compute() local 420 &numOfAtomNeigh, in compute() 431 for (jj = 0; jj < numOfAtomNeigh; ++jj) in compute()
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/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/Morse_EIP__MD_429561112321_002/ |
H A D | Morse_EIP.c | 389 int numOfAtomNeigh; in compute() local 482 &numOfAtomNeigh, in compute() 495 for (jj = 0; jj < numOfAtomNeigh; ++jj) in compute()
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/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/MFF__MD_514777050453_001/ |
H A D | MFF.c | 1357 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()
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