/dports/science/lammps/lammps-stable_29Sep2021/src/ |
H A D | fix.cpp | 101 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 …]
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H A D | integrate.cpp | 159 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()
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
H A D | integrate.cpp | 173 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()
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H A D | fix.cpp | 112 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()
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/dports/science/lammps/lammps-stable_29Sep2021/src/DIELECTRIC/ |
H A D | msm_dielectric.cpp | 77 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()
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/cuda/ |
H A D | pair_sw_cuda.cu | 55 …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()
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H A D | pair_lj_class2_coul_cut_cuda.cu | 40 …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()
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H A D | pair_morse_cuda.cu | 45 …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()
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H A D | pair_lj_class2_cuda.cu | 41 …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()
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H A D | pair_lj_class2_coul_long_cuda.cu | 40 …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()
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H A D | pair_lj_cut_coul_cut_cuda.cu | 40 …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()
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H A D | pair_lj96_cut_cuda.cu | 46 …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()
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H A D | pair_lj_cut_coul_debye_cuda.cu | 40 …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()
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H A D | pair_lj_cut_coul_long_cuda.cu | 40 …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()
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H A D | pair_lj_cut_cuda.cu | 41 …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()
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H A D | pair_tersoff_cuda.cu | 62 …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()
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H A D | pair_cg_cmm_coul_cut_cuda.cu | 48 …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()
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H A D | pair_lj_expand_cuda.cu | 45 …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()
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H A D | pair_lj_sdk_coul_long_cuda.cu | 48 …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()
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H A D | pair_buck_coul_cut_cuda.cu | 40 …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()
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H A D | pair_buck_cuda.cu | 42 …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()
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H A D | pair_lj_cut_experimental_cuda.cu | 40 …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()
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H A D | pair_lj_sdk_coul_debye_cuda.cu | 48 …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()
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H A D | pair_morse_coul_long_cuda.cu | 42 …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()
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H A D | pair_buck_coul_long_cuda.cu | 41 …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()
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