Searched refs:eanglethird (Results 1 – 7 of 7) sorted by relevance
166 double eanglethird,v[6]; in ev_tally() local172 eanglethird = THIRD*eangle; in ev_tally()173 if (i < nlocal) energy += eanglethird; in ev_tally()174 if (j < nlocal) energy += eanglethird; in ev_tally()175 if (k < nlocal) energy += eanglethird; in ev_tally()179 eanglethird = THIRD*eangle; in ev_tally()180 if (newton_bond || i < nlocal) eatom[i] += eanglethird; in ev_tally()181 if (newton_bond || j < nlocal) eatom[j] += eanglethird; in ev_tally()182 if (newton_bond || k < nlocal) eatom[k] += eanglethird; in ev_tally()
187 double eanglethird,v[6]; in ev_tally() local193 eanglethird = THIRD*eangle; in ev_tally()194 if (i < nlocal) energy += eanglethird; in ev_tally()195 if (j < nlocal) energy += eanglethird; in ev_tally()196 if (k < nlocal) energy += eanglethird; in ev_tally()200 eanglethird = THIRD*eangle; in ev_tally()201 if (newton_bond || i < nlocal) eatom[i] += eanglethird; in ev_tally()202 if (newton_bond || j < nlocal) eatom[j] += eanglethird; in ev_tally()203 if (newton_bond || k < nlocal) eatom[k] += eanglethird; in ev_tally()
285 E_FLOAT eanglethird; in ev_tally() local296 eanglethird = THIRD*eangle; in ev_tally()298 if (i < nlocal) ev.evdwl += eanglethird; in ev_tally()299 if (j < nlocal) ev.evdwl += eanglethird; in ev_tally()300 if (k < nlocal) ev.evdwl += eanglethird; in ev_tally()304 eanglethird = THIRD*eangle; in ev_tally()306 if (newton_bond || i < nlocal) v_eatom[i] += eanglethird; in ev_tally()307 if (newton_bond || j < nlocal) v_eatom[j] += eanglethird; in ev_tally()308 if (newton_bond || k < nlocal) v_eatom[k] += eanglethird; in ev_tally()
303 E_FLOAT eanglethird; in ev_tally() local314 eanglethird = THIRD*eangle; in ev_tally()316 if (i < nlocal) ev.evdwl += eanglethird; in ev_tally()317 if (j < nlocal) ev.evdwl += eanglethird; in ev_tally()318 if (k < nlocal) ev.evdwl += eanglethird; in ev_tally()322 eanglethird = THIRD*eangle; in ev_tally()324 if (newton_bond || i < nlocal) v_eatom[i] += eanglethird; in ev_tally()325 if (newton_bond || j < nlocal) v_eatom[j] += eanglethird; in ev_tally()326 if (newton_bond || k < nlocal) v_eatom[k] += eanglethird; in ev_tally()
349 E_FLOAT eanglethird; in ev_tally() local356 eanglethird = THIRD*eangle; in ev_tally()358 if (i < nlocal) ev.evdwl += eanglethird; in ev_tally()359 if (j < nlocal) ev.evdwl += eanglethird; in ev_tally()360 if (k < nlocal) ev.evdwl += eanglethird; in ev_tally()364 eanglethird = THIRD*eangle; in ev_tally()366 if (newton_bond || i < nlocal) d_eatom[i] += eanglethird; in ev_tally()367 if (newton_bond || j < nlocal) d_eatom[j] += eanglethird; in ev_tally()368 if (newton_bond || k < nlocal) d_eatom[k] += eanglethird; in ev_tally()
496 E_FLOAT eanglethird; in ev_tally() local507 eanglethird = THIRD*eangle; in ev_tally()509 if (i < nlocal) ev.evdwl += eanglethird; in ev_tally()510 if (j < nlocal) ev.evdwl += eanglethird; in ev_tally()511 if (k < nlocal) ev.evdwl += eanglethird; in ev_tally()515 eanglethird = THIRD*eangle; in ev_tally()517 if (newton_bond || i < nlocal) v_eatom[i] += eanglethird; in ev_tally()518 if (newton_bond || j < nlocal) v_eatom[j] += eanglethird; in ev_tally()519 if (newton_bond || k < nlocal) v_eatom[k] += eanglethird; in ev_tally()
914 const double eanglethird = THIRD*eangle; in ev_tally_thr() local919 thr->eatom_angle[i] += eanglethird; in ev_tally_thr()920 thr->eatom_angle[j] += eanglethird; in ev_tally_thr()921 thr->eatom_angle[k] += eanglethird; in ev_tally_thr()925 if (i < nlocal) thr->eng_angle += eanglethird; in ev_tally_thr()926 if (j < nlocal) thr->eng_angle += eanglethird; in ev_tally_thr()927 if (k < nlocal) thr->eng_angle += eanglethird; in ev_tally_thr()930 if (i < nlocal) thr->eatom_angle[i] += eanglethird; in ev_tally_thr()931 if (j < nlocal) thr->eatom_angle[j] += eanglethird; in ev_tally_thr()932 if (k < nlocal) thr->eatom_angle[k] += eanglethird; in ev_tally_thr()