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Searched refs:newton_pair (Results 1 – 25 of 668) sorted by relevance

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/dports/science/lammps/lammps-stable_29Sep2021/src/OPT/
H A Dpair_lj_long_coul_long_opt.cpp61 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
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H A Dpair_lj_cut_coul_long_opt.cpp47 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()
/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/
H A Dpair_lj_long_coul_long_omp.cpp80 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 …]
H A Dpair_buck_long_coul_long_omp.cpp79 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
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H A Dpair_lj_long_tip4p_long_omp.cpp118 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 …]
/dports/science/lammps/lammps-stable_29Sep2021/src/MANYBODY/
H A Dpair_eam_he.cpp68 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()
H A Dpair_eam_cd.cpp100 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()
/dports/science/lammps/lammps-stable_29Sep2021/src/CORESHELL/
H A Dpair_lj_cut_coul_long_cs.cpp74 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()
H A Dpair_lj_class2_coul_long_cs.cpp69 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()
H A Dpair_coul_wolf_cs.cpp56 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()
H A Dpair_born_coul_dsf_cs.cpp65 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()
/dports/science/lammps/lammps-stable_29Sep2021/src/EFF/
H A Dpair_eff_cut.cpp96 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()
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/dports/science/lammps/lammps-stable_29Sep2021/src/COLLOID/
H A Dpair_lubricateU.cpp188 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
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/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Dpair_lj_cut.cpp84 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()
/dports/science/lammps/lammps-stable_29Sep2021/src/MISC/
H A Dpair_list.cpp84 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()
/dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/
H A Dpair_buck_coul_msm.cpp86 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()
H A Dpair_born_coul_msm.cpp89 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()
H A Dpair_lj_cut_coul_msm.cpp90 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()
/dports/science/lammps/lammps-stable_29Sep2021/unittest/force-styles/tests/
H A Din.empty1 variable newton_pair index on
6 newton ${newton_pair} ${newton_bond}
H A Din.metal1 variable newton_pair index on
13 newton ${newton_pair} ${newton_bond}
H A Din.manybody1 variable newton_pair index on
13 newton ${newton_pair} ${newton_bond}
/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-PAIR/
H A Dpair_lj96_cut.cpp83 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()
/dports/science/lammps/lammps-stable_29Sep2021/src/CLASS2/
H A Dpair_lj_class2.cpp81 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()
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Dneighbor.cpp263 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 …]
/dports/science/lammps/lammps-stable_29Sep2021/src/SPH/
H A Dpair_sph_idealgas.cpp68 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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