Searched refs:potqn (Results 1 – 2 of 2) sorted by relevance
| /dports/science/lammps/lammps-stable_29Sep2021/src/SMTBQ/ |
| H A D | pair_smtbq.h | 81 double *potqn, *dpotqn, Vself, *Zsm, *coord, *fafbOxOxBB, *dfafbOxOxBB, *fafbTiOxBB, *dfafbTiOxBB; variable
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| H A D | pair_smtbq.cpp | 101 potqn = nullptr; in PairSMTBQ()
170 memory->destroy(potqn); in ~PairSMTBQ()
1224 memory->create(potqn,kmax+5,"pair:potqn"); in tabqeq()
1293 potqn[k] = 14.4*(erfc(alf*r)/r - mu) ; in tabqeq()
1384 fafb[k][m] = potqn[k] - dij ; in tabqeq()
1437 fafbOxOxSurf[k] = potqn[k] - dij ; in tabqeq()
1442 else { fafbTiOxSurf[k] = potqn[k] - dij ; in tabqeq()
1501 fafbOxOxBB[k] = potqn[k] - dij ; in tabqeq()
1504 else { fafbTiOxBB[k] = potqn[k] - dij ; in tabqeq()
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