Home
last modified time | relevance | path

Searched refs:vflag_atom (Results 1 – 25 of 326) sorted by relevance

12345678910>>...14

/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Dfix.cpp101 vflag_atom = 0; in Fix()
204 if (!thermo_virial) vflag_either = vflag_global = vflag_atom = 0; in ev_setup()
208 vflag_atom = vflag & (VIRIAL_ATOM | VIRIAL_CENTROID); in ev_setup()
218 if (vflag_atom && atom->nlocal > maxvatom) { in ev_setup()
233 if (vflag_atom) { in ev_setup()
259 vflag_atom = vflag & (VIRIAL_ATOM | VIRIAL_CENTROID); in v_setup()
263 if (vflag_atom && atom->nlocal > maxvatom) { in v_setup()
272 if (vflag_atom) { in v_setup()
335 if (vflag_atom) { in v_tally()
371 if (vflag_atom) { in v_tally()
[all …]
H A Dintegrate.cpp159 int vflag_atom = 0; in ev_set() local
162 if (flag) vflag_atom = VIRIAL_ATOM; in ev_set()
171 if (vflag_atom || cvflag_atom) update->vflag_atom = ntimestep; in ev_set()
172 vflag = vflag_global + vflag_atom + cvflag_atom; in ev_set()
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Dintegrate.cpp173 int vflag_atom = 0; in ev_set() local
176 if (flag) vflag_atom = 4; in ev_set()
179 if (vflag_atom) update->vflag_atom = ntimestep; in ev_set()
180 vflag = vflag_global + vflag_atom; in ev_set()
H A Dfix.cpp112 vflag_global = vflag_atom = 0; in Fix()
185 vflag_atom = vflag / 4; in v_setup()
189 if (vflag_atom && atom->nlocal > maxvatom) { in v_setup()
198 if (vflag_atom) { in v_setup()
234 if (vflag_atom) { in v_tally()
/dports/science/lammps/lammps-stable_29Sep2021/src/DIELECTRIC/
H A Dmsm_dielectric.cpp77 eflag_atom = vflag_atom = eflag_either = vflag_either = 0; in compute()
80 if (vflag_atom) in compute()
105 if (vflag_atom && !peratom_allocate_flag) allocate_peratom(); in compute()
161 if (vflag_atom) in compute()
172 if (vflag_atom) in compute()
192 if (vflag_atom) in compute()
206 if (vflag_atom) in compute()
259 if (vflag_atom) { in compute()
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/cuda/
H A Dpair_sw_cuda.cu55 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairSWCuda() argument
120 (eflag_atom, vflag_atom); in Cuda_PairSWCuda()
123 (eflag_atom, vflag_atom); in Cuda_PairSWCuda()
127 (eflag_atom, vflag_atom); in Cuda_PairSWCuda()
130 (eflag_atom, vflag_atom); in Cuda_PairSWCuda()
H A Dpair_lj_class2_coul_cut_cuda.cu40 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairLJClass2CoulCutCuda() argument
61 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJClass2CoulCutCuda()
64 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJClass2CoulCutCuda()
H A Dpair_morse_cuda.cu45 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairMorseCuda() argument
65 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairMorseCuda()
68 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairMorseCuda()
H A Dpair_lj_class2_cuda.cu41 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairLJClass2Cuda() argument
63 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJClass2Cuda()
66 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJClass2Cuda()
H A Dpair_lj_class2_coul_long_cuda.cu40 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairLJClass2CoulLongCuda() argument
61 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJClass2CoulLongCuda()
64 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJClass2CoulLongCuda()
H A Dpair_lj_cut_coul_cut_cuda.cu40 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairLJCutCoulCutCuda() argument
61 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJCutCoulCutCuda()
64 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJCutCoulCutCuda()
H A Dpair_lj96_cut_cuda.cu46 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairLJ96CutCuda() argument
66 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJ96CutCuda()
69 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJ96CutCuda()
H A Dpair_lj_cut_coul_debye_cuda.cu40 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairLJCutCoulDebyeCuda() argument
61 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJCutCoulDebyeCuda()
64 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJCutCoulDebyeCuda()
H A Dpair_lj_cut_coul_long_cuda.cu40 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairLJCutCoulLongCuda() argument
61 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJCutCoulLongCuda()
64 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJCutCoulLongCuda()
H A Dpair_lj_cut_cuda.cu41 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairLJCutCuda() argument
63 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJCutCuda()
66 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJCutCuda()
H A Dpair_tersoff_cuda.cu62 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairTersoffCuda() argument
135 (eflag_atom, vflag_atom); in Cuda_PairTersoffCuda()
138 (eflag_atom, vflag_atom); in Cuda_PairTersoffCuda()
142 (eflag_atom, vflag_atom); in Cuda_PairTersoffCuda()
145 (eflag_atom, vflag_atom); in Cuda_PairTersoffCuda()
H A Dpair_cg_cmm_coul_cut_cuda.cu48 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairCGCMMCoulCutCuda() argument
68 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairCGCMMCoulCutCuda()
71 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairCGCMMCoulCutCuda()
H A Dpair_lj_expand_cuda.cu45 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairLJExpandCuda() argument
65 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJExpandCuda()
68 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJExpandCuda()
H A Dpair_lj_sdk_coul_long_cuda.cu48 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairLJSDKCoulLongCuda() argument
68 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJSDKCoulLongCuda()
71 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJSDKCoulLongCuda()
H A Dpair_buck_coul_cut_cuda.cu40 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairBuckCoulCutCuda() argument
61 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairBuckCoulCutCuda()
64 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairBuckCoulCutCuda()
H A Dpair_buck_cuda.cu42 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairBuckCuda() argument
63 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairBuckCuda()
66 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairBuckCuda()
H A Dpair_lj_cut_experimental_cuda.cu40 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairLJCutExperimentalCuda() argument
67 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJCutExperimentalCuda()
70 …zeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom, sdata->comm.com… in Cuda_PairLJCutExperimentalCuda()
H A Dpair_lj_sdk_coul_debye_cuda.cu48 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairLJSDKCoulDebyeCuda() argument
68 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJSDKCoulDebyeCuda()
71 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairLJSDKCoulDebyeCuda()
H A Dpair_morse_coul_long_cuda.cu42 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairMorseCoulLongCuda() argument
63 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairMorseCoulLongCuda()
66 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairMorseCoulLongCuda()
H A Dpair_buck_coul_long_cuda.cu41 …ta* sdata, cuda_shared_neighlist* sneighlist, int eflag, int vflag, int eflag_atom, int vflag_atom) in Cuda_PairBuckCoulLongCuda() argument
62 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairBuckCoulLongCuda()
65 …haredperproc* sizeof(ENERGY_FLOAT)*threads.x, streams[1]>>> (eflag, vflag, eflag_atom, vflag_atom); in Cuda_PairBuckCoulLongCuda()

12345678910>>...14