Searched refs:evdwl12 (Results 1 – 2 of 2) sorted by relevance
| /dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/ |
| H A D | pair_lj_charmmfsw_coul_long.cpp | 115 double qtmp,xtmp,ytmp,ztmp,delx,dely,delz,evdwl,evdwl12,evdwl6,ecoul,fpair; in compute() local
230 evdwl12 = lj3[itype][jtype]*cut_lj6*denom_lj12 * in compute()
234 evdwl = evdwl12 + evdwl6; in compute()
236 evdwl12 = r6inv*lj3[itype][jtype]*r6inv - in compute()
240 evdwl = evdwl12 + evdwl6; in compute()
443 double qtmp,xtmp,ytmp,ztmp,delx,dely,delz,evdwl,evdwl6,evdwl12,ecoul,fpair; in compute_outer() local
588 evdwl12 = lj3[itype][jtype]*cut_lj6*denom_lj12 * in compute_outer()
592 evdwl = evdwl12 + evdwl6; in compute_outer()
594 evdwl12 = r6inv*lj3[itype][jtype]*r6inv - in compute_outer()
598 evdwl = evdwl12 + evdwl6; in compute_outer()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MOLECULE/ |
| H A D | pair_lj_charmmfsw_coul_charmmfsh.cpp | 101 double qtmp,xtmp,ytmp,ztmp,delx,dely,delz,evdwl,evdwl12,evdwl6,ecoul,fpair; in compute() local
188 evdwl12 = lj3[itype][jtype]*cut_lj6*denom_lj12 * in compute()
192 evdwl = evdwl12 + evdwl6; in compute()
194 evdwl12 = r6inv*lj3[itype][jtype]*r6inv - in compute()
198 evdwl = evdwl12 + evdwl6; in compute()
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