Searched refs:fafbTiOxSurf (Results 1 – 2 of 2) sorted by relevance
80 double *esm, **fafb, **dfafb, *fafbOxOxSurf, *dfafbOxOxSurf, *fafbTiOxSurf, *dfafbTiOxSurf; variable
175 memory->destroy(fafbTiOxSurf); in ~PairSMTBQ()1230 memory->create(fafbTiOxSurf,kmax+5,"pair:fafbTiOxSurf"); in tabqeq()1310 fafbTiOxSurf[i] = 0.0; in tabqeq()1442 else { fafbTiOxSurf[k] = potqn[k] - dij ; in tabqeq()1443 if (k == 1) fafbTiOxSurf[0] = fafbTiOxSurf[k] ; in tabqeq()1608 t1 = fafbTiOxSurf[l] + (fafbTiOxSurf[l+1] - fafbTiOxSurf[l])*xi; in potqeq()1609 t2 = fafbTiOxSurf[l+1] + (fafbTiOxSurf[l+2] - fafbTiOxSurf[l+1])*(xi-1.0); in potqeq()1711 t1 = fafbTiOxSurf[l] + (fafbTiOxSurf[l+1] - fafbTiOxSurf[l])*xi; in pot_ES()1712 t2 = fafbTiOxSurf[l+1] + (fafbTiOxSurf[l+2] - fafbTiOxSurf[l+1])*(xi-1.0); in pot_ES()