/dports/science/lammps/lammps-stable_29Sep2021/src/OPT/ |
H A D | pair_lj_long_coul_long_opt.cpp | 61 if (force->newton_pair) return eval<1,1,1,0,0,1,1>(); in compute() 64 if (force->newton_pair) return eval<1,0,1,0,0,1,1>(); in compute() 68 if (force->newton_pair) return eval<0,0,1,0,0,1,1>(); in compute() 81 if (force->newton_pair) return eval<0,0,1,1,0,1,1>(); in compute() 96 if (force->newton_pair) return eval<0,0,1,0,1,1,1>(); in compute() 109 if (force->newton_pair) return eval<0,0,1,1,1,1,1>(); in compute() 126 if (force->newton_pair) return eval<0,0,1,0,0,0,1>(); in compute() 139 if (force->newton_pair) return eval<0,0,1,1,0,0,1>(); in compute() 154 if (force->newton_pair) return eval<0,0,1,0,1,0,1>(); in compute() 713 int newton_pair = force->newton_pair; in eval_outer() local [all …]
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H A D | pair_lj_cut_coul_long_opt.cpp | 47 if (force->newton_pair) return eval<1,1,1,0>(); in compute() 50 if (force->newton_pair) return eval<1,0,1,0>(); in compute() 54 if (force->newton_pair) return eval<0,0,1,0>(); in compute() 60 if (force->newton_pair) return eval<1,1,1,1>(); in compute() 63 if (force->newton_pair) return eval<1,0,1,1>(); in compute() 67 if (force->newton_pair) return eval<0,0,1,1>(); in compute()
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/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
H A D | pair_lj_long_coul_long_omp.cpp | 80 if (force->newton_pair) eval<1,1,1,0,0,1,1>(ifrom, ito, thr); in compute() 83 if (force->newton_pair) eval<1,0,1,0,0,1,1>(ifrom, ito, thr); in compute() 87 if (force->newton_pair) eval<0,0,1,0,0,1,1>(ifrom, ito, thr); in compute() 100 if (force->newton_pair) eval<0,0,1,1,0,1,1>(ifrom, ito, thr); in compute() 115 if (force->newton_pair) eval<0,0,1,0,1,1,1>(ifrom, ito, thr); in compute() 128 if (force->newton_pair) eval<0,0,1,1,1,1,1>(ifrom, ito, thr); in compute() 145 if (force->newton_pair) eval<0,0,1,0,0,0,1>(ifrom, ito, thr); in compute() 158 if (force->newton_pair) eval<0,0,1,1,0,0,1>(ifrom, ito, thr); in compute() 291 if (force->newton_pair) eval<0,0,1,0,1,0,0>(ifrom, ito, thr); in compute() 812 const int newton_pair = force->newton_pair; in eval_inner() local [all …]
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H A D | pair_buck_long_coul_long_omp.cpp | 79 if (force->newton_pair) eval<1,1,1,0,0,1,1>(ifrom, ito, thr); in compute() 82 if (force->newton_pair) eval<1,0,1,0,0,1,1>(ifrom, ito, thr); in compute() 86 if (force->newton_pair) eval<0,0,1,0,0,1,1>(ifrom, ito, thr); in compute() 99 if (force->newton_pair) eval<0,0,1,1,0,1,1>(ifrom, ito, thr); in compute() 114 if (force->newton_pair) eval<0,0,1,0,1,1,1>(ifrom, ito, thr); in compute() 127 if (force->newton_pair) eval<0,0,1,1,1,1,1>(ifrom, ito, thr); in compute() 144 if (force->newton_pair) eval<0,0,1,0,0,0,1>(ifrom, ito, thr); in compute() 157 if (force->newton_pair) eval<0,0,1,1,0,0,1>(ifrom, ito, thr); in compute() 290 if (force->newton_pair) eval<0,0,1,0,1,0,0>(ifrom, ito, thr); in compute() 817 const int newton_pair = force->newton_pair; in eval_inner() local [all …]
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H A D | pair_lj_long_tip4p_long_omp.cpp | 118 if (force->newton_pair) eval<1,1,1,0,0,1,1>(ifrom, ito, thr); in compute() 121 if (force->newton_pair) eval<1,0,1,0,0,1,1>(ifrom, ito, thr); in compute() 125 if (force->newton_pair) eval<0,0,1,0,0,1,1>(ifrom, ito, thr); in compute() 138 if (force->newton_pair) eval<0,0,1,1,0,1,1>(ifrom, ito, thr); in compute() 153 if (force->newton_pair) eval<0,0,1,0,1,1,1>(ifrom, ito, thr); in compute() 166 if (force->newton_pair) eval<0,0,1,1,1,1,1>(ifrom, ito, thr); in compute() 183 if (force->newton_pair) eval<0,0,1,0,0,0,1>(ifrom, ito, thr); in compute() 196 if (force->newton_pair) eval<0,0,1,1,0,0,1>(ifrom, ito, thr); in compute() 211 if (force->newton_pair) eval<0,0,1,0,1,0,1>(ifrom, ito, thr); in compute() 224 if (force->newton_pair) eval<0,0,1,1,1,0,1>(ifrom, ito, thr); in compute() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/MANYBODY/ |
H A D | pair_eam_he.cpp | 68 int newton_pair = force->newton_pair; in compute() local 77 if (newton_pair) { in compute() 111 if (newton_pair || j < nlocal) { in compute() 121 if (newton_pair) comm->reverse_comm_pair(this); in compute() 224 if (newton_pair || j < nlocal) { in compute() 231 if (evflag) ev_tally(i,j,nlocal,newton_pair, in compute()
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H A D | pair_eam_cd.cpp | 100 int newton_pair = force->newton_pair; in compute() local 149 if (newton_pair || j < nlocal) { in compute() 166 if (newton_pair || j < nlocal) in compute() 176 if (newton_pair) { in compute() 266 if (newton_pair || j < nlocal) in compute() 274 if (newton_pair) { in compute() 439 if (newton_pair || j < nlocal) { in compute() 446 if (evflag) ev_tally(i,j,nlocal,newton_pair,evdwl,0.0,fpair,delx,dely,delz); in compute()
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/dports/science/lammps/lammps-stable_29Sep2021/src/CORESHELL/ |
H A D | pair_lj_cut_coul_long_cs.cpp | 74 int newton_pair = force->newton_pair; in compute() local 162 if (newton_pair || j < nlocal) { in compute() 185 if (evflag) ev_tally(i,j,nlocal,newton_pair, in compute() 211 int newton_pair = force->newton_pair; in compute_inner() local 270 if (newton_pair || j < nlocal) { in compute_inner() 297 int newton_pair = force->newton_pair; in compute_middle() local 364 if (newton_pair || j < nlocal) { in compute_middle() 397 int newton_pair = force->newton_pair; in compute_outer() local 492 if (newton_pair || j < nlocal) { in compute_outer() 548 if (evflag) ev_tally(i,j,nlocal,newton_pair, in compute_outer()
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H A D | pair_lj_class2_coul_long_cs.cpp | 69 int newton_pair = force->newton_pair; in compute() local 159 if (newton_pair || j < nlocal) { in compute() 182 if (evflag) ev_tally(i,j,nlocal,newton_pair, in compute() 208 int newton_pair = force->newton_pair; in compute_inner() local 269 if (newton_pair || j < nlocal) { in compute_inner() 296 int newton_pair = force->newton_pair; in compute_middle() local 365 if (newton_pair || j < nlocal) { in compute_middle() 398 int newton_pair = force->newton_pair; in compute_outer() local 495 if (newton_pair || j < nlocal) { in compute_outer() 557 if (evflag) ev_tally(i,j,nlocal,newton_pair, in compute_outer()
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H A D | pair_coul_wolf_cs.cpp | 56 int newton_pair = force->newton_pair; in compute() local 113 if (newton_pair || j < nlocal) { in compute() 124 if (evflag) ev_tally(i,j,nlocal,newton_pair, in compute()
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H A D | pair_born_coul_dsf_cs.cpp | 65 int newton_pair = force->newton_pair; in compute() local 131 if (newton_pair || j < nlocal) { in compute() 149 if (evflag) ev_tally(i,j,nlocal,newton_pair, in compute()
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/dports/science/lammps/lammps-stable_29Sep2021/src/EFF/ |
H A D | pair_eff_cut.cpp | 96 int newton_pair = force->newton_pair; in compute() local 156 ev_tally_eff(i,i,nlocal,newton_pair,energy,0.0); in compute() 256 ev_tally_eff(j,j,nlocal,newton_pair,0.0,e1rvirial); in compute() 273 ev_tally_eff(i,i,nlocal,newton_pair,0.0,e1rvirial); in compute() 332 ev_tally_eff(j,j,nlocal,newton_pair,0.0,e2rvirial); in compute() 555 if (newton_pair || j < nlocal) { in compute() 562 if (evflag) ev_tally_xyz(i,j,nlocal,newton_pair,0.0, in compute() 565 if (newton_pair) { in compute() 689 if (newton_pair) in ev_tally_eff() 720 if (newton_pair || i < nlocal) { in ev_tally_eff() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/COLLOID/ |
H A D | pair_lubricateU.cpp | 188 int newton_pair = force->newton_pair; in stage_one() local 221 if (newton_pair) comm->reverse_comm(); in stage_one() 260 if (newton_pair) comm->reverse_comm(); in stage_one() 388 int newton_pair = force->newton_pair; in stage_two() local 405 if (newton_pair) comm->reverse_comm(); in stage_two() 444 if (newton_pair) comm->reverse_comm(); in stage_two() 568 int newton_pair = force->newton_pair; in compute_Fh() local 802 int newton_pair = force->newton_pair; in compute_RU() local 1073 int newton_pair = force->newton_pair; in compute_RU() local 1345 int newton_pair = force->newton_pair; in compute_RE() local [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/ |
H A D | pair_lj_cut.cpp | 84 int newton_pair = force->newton_pair; in compute() local 122 if (newton_pair || j < nlocal) { in compute() 133 if (evflag) ev_tally(i, j, nlocal, newton_pair, evdwl, 0.0, fpair, delx, dely, delz); in compute() 155 int newton_pair = force->newton_pair; in compute_inner() local 204 if (newton_pair || j < nlocal) { in compute_inner() 228 int newton_pair = force->newton_pair; in compute_middle() local 286 if (newton_pair || j < nlocal) { in compute_middle() 313 int newton_pair = force->newton_pair; in compute_outer() local 363 if (newton_pair || j < nlocal) { in compute_outer() 387 if (evflag) ev_tally(i, j, nlocal, newton_pair, evdwl, 0.0, fpair, delx, dely, delz); in compute_outer()
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/dports/science/lammps/lammps-stable_29Sep2021/src/MISC/ |
H A D | pair_list.cpp | 84 const int newton_pair = force->newton_pair; in compute() local 106 if (newton_pair) { in compute() 118 if (newton_pair || i < nlocal) ++pc; in compute() 119 if (newton_pair || j < nlocal) ++pc; in compute() 156 if (newton_pair || i < nlocal) { in compute() 162 if (newton_pair || j < nlocal) { in compute() 168 if (evflag) ev_tally(i,j,nlocal,newton_pair,epair,0.0,fpair,dx,dy,dz); in compute()
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/dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/ |
H A D | pair_buck_coul_msm.cpp | 86 int newton_pair = force->newton_pair; in compute() local 142 if (newton_pair || j < nlocal) { in compute() 155 if (newton_pair || j < nlocal) { in compute() 166 if (newton_pair || j < nlocal) { in compute() 185 if (evflag) ev_tally(i,j,nlocal,newton_pair, in compute()
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H A D | pair_born_coul_msm.cpp | 89 int newton_pair = force->newton_pair; in compute() local 146 if (newton_pair || j < nlocal) { in compute() 159 if (newton_pair || j < nlocal) { in compute() 170 if (newton_pair || j < nlocal) { in compute() 189 if (evflag) ev_tally(i,j,nlocal,newton_pair, in compute()
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H A D | pair_lj_cut_coul_msm.cpp | 90 int newton_pair = force->newton_pair; in compute() local 160 if (newton_pair || j < nlocal) { in compute() 173 if (newton_pair || j < nlocal) { in compute() 184 if (newton_pair || j < nlocal) { in compute() 209 if (evflag) ev_tally(i,j,nlocal,newton_pair, in compute() 254 int newton_pair = force->newton_pair; in compute_outer() local 346 if (newton_pair || j < nlocal) { in compute_outer() 402 if (evflag) ev_tally(i,j,nlocal,newton_pair, in compute_outer()
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/dports/science/lammps/lammps-stable_29Sep2021/unittest/force-styles/tests/ |
H A D | in.empty | 1 variable newton_pair index on 6 newton ${newton_pair} ${newton_bond}
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H A D | in.metal | 1 variable newton_pair index on 13 newton ${newton_pair} ${newton_bond}
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H A D | in.manybody | 1 variable newton_pair index on 13 newton ${newton_pair} ${newton_bond}
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/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-PAIR/ |
H A D | pair_lj96_cut.cpp | 83 int newton_pair = force->newton_pair; in compute() local 122 if (newton_pair || j < nlocal) { in compute() 134 if (evflag) ev_tally(i,j,nlocal,newton_pair, in compute() 157 int newton_pair = force->newton_pair; in compute_inner() local 207 if (newton_pair || j < nlocal) { in compute_inner() 231 int newton_pair = force->newton_pair; in compute_middle() local 290 if (newton_pair || j < nlocal) { in compute_middle() 317 int newton_pair = force->newton_pair; in compute_outer() local 368 if (newton_pair || j < nlocal) { in compute_outer() 394 if (evflag) ev_tally(i,j,nlocal,newton_pair,evdwl,0.0,fpair,delx,dely,delz); in compute_outer()
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/dports/science/lammps/lammps-stable_29Sep2021/src/CLASS2/ |
H A D | pair_lj_class2.cpp | 81 int newton_pair = force->newton_pair; in compute() local 121 if (newton_pair || j < nlocal) { in compute() 133 if (evflag) ev_tally(i,j,nlocal,newton_pair, in compute() 157 int newton_pair = force->newton_pair; in compute_inner() local 208 if (newton_pair || j < nlocal) { in compute_inner() 232 int newton_pair = force->newton_pair; in compute_middle() local 292 if (newton_pair || j < nlocal) { in compute_middle() 319 int newton_pair = force->newton_pair; in compute_outer() local 371 if (newton_pair || j < nlocal) { in compute_outer() 400 if (evflag) ev_tally(i,j,nlocal,newton_pair,evdwl,0.0,fpair,delx,dely,delz); in compute_outer()
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
H A D | neighbor.cpp | 263 newton_pair = force->newton_pair; in init() 987 if (newton_pair == 0) pb = &Neighbor::half_from_full_no_newton; in choose_build() 993 if (newton_pair == 0) { in choose_build() 1011 if (newton_pair == 0) { in choose_build() 1083 if (newton_pair == 0) pb = &Neighbor::respa_nsq_no_newton; in choose_build() 1084 else if (newton_pair == 1) pb = &Neighbor::respa_nsq_newton; in choose_build() 1086 if (newton_pair == 0) pb = &Neighbor::respa_bin_no_newton; in choose_build() 1112 if (newton_pair == 0) { in choose_build() 1130 if (newton_pair == 0) { in choose_build() 1229 if (newton_pair == 0) { in choose_stencil() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/SPH/ |
H A D | pair_sph_idealgas.cpp | 68 int newton_pair = force->newton_pair; in compute() local 153 if (newton_pair || j < nlocal) { in compute() 162 ev_tally(i, j, nlocal, newton_pair, 0.0, 0.0, fpair, delx, dely, delz); in compute() 165 ev_tally(i, j, nlocal, newton_pair, 0.0, 0.0, fpair, delx, dely, in compute()
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