Searched refs:evdwl6 (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
232 evdwl6 = -lj4[itype][jtype]*cut_lj3*denom_lj6 * in compute()
234 evdwl = evdwl12 + evdwl6; in compute()
238 evdwl6 = -lj4[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
590 evdwl6 = -lj4[itype][jtype]*cut_lj3*denom_lj6 * in compute_outer()
592 evdwl = evdwl12 + evdwl6; in compute_outer()
596 evdwl6 = -lj4[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
190 evdwl6 = -lj4[itype][jtype]*cut_lj3*denom_lj6 * in compute()
192 evdwl = evdwl12 + evdwl6; in compute()
196 evdwl6 = -lj4[itype][jtype]*r6inv + in compute()
198 evdwl = evdwl12 + evdwl6; in compute()
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