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Searched refs:groupbit (Results 1 – 25 of 672) sorted by relevance

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/dports/science/sparta/sparta-20Oct2021/src/KOKKOS/
H A Dcompute_property_grid_kokkos.cpp102 if (d_cinfo[i].mask & groupbit) d_vector[i] = d_cells[i].id; in operator ()()
106 if (d_cinfo[i].mask & groupbit) d_vector[i] = d_cells[i].proc; in operator ()()
110 if (d_cinfo[i].mask & groupbit) d_vector[i] = d_cells[i].lo[0]; in operator ()()
114 if (d_cinfo[i].mask & groupbit) d_vector[i] = d_cells[i].lo[1]; in operator ()()
118 if (d_cinfo[i].mask & groupbit) d_vector[i] = d_cells[i].lo[2]; in operator ()()
134 if (d_cinfo[i].mask & groupbit) in operator ()()
139 if (d_cinfo[i].mask & groupbit) in operator ()()
144 if (d_cinfo[i].mask & groupbit) in operator ()()
194 if (d_cinfo[i].mask & groupbit) in operator ()()
199 if (d_cinfo[i].mask & groupbit) in operator ()()
[all …]
/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Ddelete_bonds.cpp158 if (!any_flag && mask[i] & groupbit && mask[atom1] & groupbit) in command()
160 if (any_flag && (mask[i] & groupbit || mask[atom1] & groupbit)) in command()
195 if (!any_flag && mask[atom1] & groupbit && mask[atom2] & groupbit && in command()
197 if (any_flag && (mask[atom1] & groupbit || mask[atom2] & groupbit || in command()
234 if (!any_flag && mask[atom1] & groupbit && mask[atom2] & groupbit && in command()
235 mask[atom3] & groupbit && mask[atom4] & groupbit) consider = 1; in command()
236 if (any_flag && (mask[atom1] & groupbit || mask[atom2] & groupbit || in command()
237 mask[atom3] & groupbit || mask[atom4] & groupbit)) in command()
275 mask[atom3] & groupbit && mask[atom4] & groupbit) consider = 1; in command()
277 mask[atom3] & groupbit || mask[atom4] & groupbit)) in command()
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H A Dcompute_property_atom.cpp508 if (mask[i] & groupbit) buf[n] = me; in pack_proc()
665 if (mask[i] & groupbit) in pack_xs_triclinic()
685 if (mask[i] & groupbit) in pack_ys_triclinic()
704 if (mask[i] & groupbit) in pack_zs_triclinic()
723 if (mask[i] & groupbit) in pack_xu()
742 if (mask[i] & groupbit) in pack_yu()
761 if (mask[i] & groupbit) in pack_zu()
781 if (mask[i] & groupbit) { in pack_xu_triclinic()
804 if (mask[i] & groupbit) { in pack_yu_triclinic()
826 if (mask[i] & groupbit) { in pack_zu_triclinic()
[all …]
H A Dfix_store_state.cpp837 if (mask[i] & groupbit) in pack_xs_triclinic()
857 if (mask[i] & groupbit) in pack_ys_triclinic()
876 if (mask[i] & groupbit) in pack_zs_triclinic()
895 if (mask[i] & groupbit) { in pack_xu()
1025 if (mask[i] & groupbit) in pack_xsu()
1045 if (mask[i] & groupbit) in pack_ysu()
1066 if (mask[i] & groupbit) in pack_zsu()
1086 if (mask[i] & groupbit) in pack_xsu_triclinic()
1107 if (mask[i] & groupbit) in pack_ysu_triclinic()
1128 if (mask[i] & groupbit) in pack_zsu_triclinic()
[all …]
H A Dcompute_temp_partial.cpp116 if (mask[i] & groupbit) in compute_scalar()
121 if (mask[i] & groupbit) in compute_scalar()
153 if (mask[i] & groupbit) { in compute_vector()
226 if (mask[i] & groupbit) { in remove_bias_all()
233 if (mask[i] & groupbit) { in remove_bias_all()
240 if (mask[i] & groupbit) { in remove_bias_all()
261 if (mask[i] & groupbit) v[i][0] = 0.0; in reapply_bias_all()
265 if (mask[i] & groupbit) v[i][1] = 0.0; in reapply_bias_all()
310 if (mask[i] & groupbit) in restore_bias_all()
315 if (mask[i] & groupbit) in restore_bias_all()
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H A Dgroup.cpp946 if (mask[i] & groupbit) { in bounds()
1043 if (mask[i] & groupbit) { in xcm()
1052 if (mask[i] & groupbit) { in xcm()
1146 if (mask[i] & groupbit) { in vcm()
1235 if (mask[i] & groupbit) { in fcm()
1291 if (mask[i] & groupbit) in ke()
1296 if (mask[i] & groupbit) in ke()
1368 if (mask[i] & groupbit) { in gyration()
1451 if (mask[i] & groupbit) { in angmom()
1532 if (mask[i] & groupbit) { in torque()
[all …]
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Ddelete_bonds.cpp172 if (!any_flag && mask[i] & groupbit && mask[atom1] & groupbit) in command()
174 if (any_flag && (mask[i] & groupbit || mask[atom1] & groupbit)) in command()
206 if (!any_flag && mask[atom1] & groupbit && mask[atom2] & groupbit && in command()
208 if (any_flag && (mask[atom1] & groupbit || mask[atom2] & groupbit || in command()
242 if (!any_flag && mask[atom1] & groupbit && mask[atom2] & groupbit && in command()
243 mask[atom3] & groupbit && mask[atom4] & groupbit) consider = 1; in command()
245 mask[atom3] & groupbit || mask[atom4] & groupbit)) in command()
280 mask[atom3] & groupbit && mask[atom4] & groupbit) consider = 1; in command()
282 mask[atom3] & groupbit || mask[atom4] & groupbit)) in command()
326 if (!any_flag && mask[i] & groupbit && mask[atom1] & groupbit) in command()
[all …]
H A Dcompute_property_atom.cpp483 if (mask[i] & groupbit) buf[n] = req; in pack_eq_radius()
624 if (mask[i] & groupbit) in pack_xs_triclinic()
644 if (mask[i] & groupbit) in pack_ys_triclinic()
663 if (mask[i] & groupbit) in pack_zs_triclinic()
682 if (mask[i] & groupbit) in pack_xu()
701 if (mask[i] & groupbit) in pack_yu()
720 if (mask[i] & groupbit) in pack_zu()
740 if (mask[i] & groupbit) { in pack_xu_triclinic()
763 if (mask[i] & groupbit) { in pack_yu_triclinic()
785 if (mask[i] & groupbit) { in pack_zu_triclinic()
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H A Dgroup.cpp863 if (mask[i] & groupbit) { in bounds()
958 if (mask[i] & groupbit) { in xcm()
968 if (mask[i] & groupbit) { in xcm()
1062 if (mask[i] & groupbit) { in vcm()
1071 if (mask[i] & groupbit) { in vcm()
1153 if (mask[i] & groupbit) { in fcm()
1209 if (mask[i] & groupbit) in ke()
1311 if (mask[i] & groupbit) { in gyration()
1393 if (mask[i] & groupbit) { in angmom()
1475 if (mask[i] & groupbit) { in torque()
[all …]
H A Dfix_store_state.cpp626 if (mask[i] & groupbit) vbuf[n] = tag[i]; in pack_id()
798 if (mask[i] & groupbit) in pack_xs_triclinic()
818 if (mask[i] & groupbit) in pack_ys_triclinic()
837 if (mask[i] & groupbit) in pack_zs_triclinic()
856 if (mask[i] & groupbit) { in pack_xu()
876 if (mask[i] & groupbit) { in pack_yu()
896 if (mask[i] & groupbit) { in pack_zu()
917 if (mask[i] & groupbit) { in pack_xu_triclinic()
941 if (mask[i] & groupbit) { in pack_yu_triclinic()
964 if (mask[i] & groupbit) { in pack_zu_triclinic()
[all …]
/dports/science/lammps/lammps-stable_29Sep2021/src/REAXFF/
H A Dcompute_spec_atom.cpp199 if (mask[i] & groupbit) buf[n] = q[i]; in pack_q()
216 if (mask[i] & groupbit) buf[n] = x[i][0]; in pack_x()
233 if (mask[i] & groupbit) buf[n] = x[i][1]; in pack_y()
250 if (mask[i] & groupbit) buf[n] = x[i][2]; in pack_z()
267 if (mask[i] & groupbit) buf[n] = v[i][0]; in pack_vx()
284 if (mask[i] & groupbit) buf[n] = v[i][1]; in pack_vy()
301 if (mask[i] & groupbit) buf[n] = v[i][2]; in pack_vz()
315 if (mask[i] & groupbit) buf[n] = reaxff->tmpbo[i][0]; in pack_abo01()
329 if (mask[i] & groupbit) buf[n] = reaxff->tmpbo[i][1]; in pack_abo02()
343 if (mask[i] & groupbit) buf[n] = reaxff->tmpbo[i][2]; in pack_abo03()
[all …]
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/cuda/
H A Dfix_nh_cuda_kernel.cu38 d = ((_mask[i] & groupbit)) ? d : X_F(0.0); in check_distance()
50 if(i < _nlocal && _mask[i] & groupbit) { in FixNHCuda_nh_v_press_Kernel()
74 __global__ void FixNHCuda_nh_v_temp_Kernel(int groupbit, F_FLOAT factor_eta) in FixNHCuda_nh_v_temp_Kernel() argument
78 if(i < _nlocal && _mask[i] & groupbit) { in FixNHCuda_nh_v_temp_Kernel()
91 if(i < _nlocal && _mask[i] & groupbit) { in FixNHCuda_nh_v_press_and_nve_v_NoBias_Kernel()
122 __global__ void FixNHCuda_nve_v_Kernel(int groupbit) in FixNHCuda_nve_v_Kernel() argument
127 if(i < _nlocal && _mask[i] & groupbit) { in FixNHCuda_nve_v_Kernel()
146 __global__ void FixNHCuda_nve_x_Kernel(int groupbit) in FixNHCuda_nve_x_Kernel() argument
152 if(i < _nlocal && _mask[i] & groupbit) { in FixNHCuda_nve_x_Kernel()
165 check_distance(xtmp, ytmp, ztmp, i, groupbit); in FixNHCuda_nve_x_Kernel()
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H A Dfix_nh_cuda_cu.h27 extern "C" void Cuda_FixNHCuda_nh_v_press(cuda_shared_data* sdata, int groupbit, double* factor_h, …
28 extern "C" void Cuda_FixNHCuda_nh_v_temp(cuda_shared_data* sdata, int groupbit, F_FLOAT factor_eta,…
29 extern "C" void Cuda_FixNHCuda_nh_v_press_and_nve_v_NoBias(cuda_shared_data* sdata, int groupbit, d…
30 extern "C" void Cuda_FixNHCuda_nve_v(cuda_shared_data* sdata, int groupbit, int mynlocal); //mynloc…
31 extern "C" void Cuda_FixNHCuda_nve_x(cuda_shared_data* sdata, int groupbit, int mynlocal); //mynloc…
32 extern "C" void Cuda_FixNHCuda_nve_v_and_nh_v_press_NoBias(cuda_shared_data* sdata, int groupbit, d…
H A Dfix_nve_cuda_kernel.cu24 …e __device__ void check_distance(X_FLOAT &xtmp, X_FLOAT &ytmp, X_FLOAT &ztmp, int &i, int groupbit) in check_distance() argument
34 d = ((i < _nlocal) && (_mask[i] & groupbit)) ? d : X_F(0.0); in check_distance()
42 __global__ void FixNVECuda_InitialIntegrate_Kernel(int groupbit) in FixNVECuda_InitialIntegrate_Kernel() argument
52 if(_mask[i] & groupbit) { in FixNVECuda_InitialIntegrate_Kernel()
82 if(i < _nlocal && _mask[i] & groupbit) { in FixNVECuda_InitialIntegrate_Kernel()
109 check_distance(xtmp, ytmp, ztmp, i, groupbit); in FixNVECuda_InitialIntegrate_Kernel()
112 __global__ void FixNVECuda_FinalIntegrate_Kernel(int groupbit) in FixNVECuda_FinalIntegrate_Kernel() argument
121 if(_mask[i] & groupbit) { in FixNVECuda_FinalIntegrate_Kernel()
144 if(i < _nlocal && _mask[i] & groupbit) { in FixNVECuda_FinalIntegrate_Kernel()
H A Dfix_nh_cuda.cu82 void Cuda_FixNHCuda_nh_v_press(cuda_shared_data* sdata, int groupbit, double* factor_h, int mynloca… in Cuda_FixNHCuda_nh_v_press() argument
111 FixNHCuda_nh_v_press_Kernel <<< grid, threads>>> (groupbit, factor, p_triclinic, factor2); in Cuda_FixNHCuda_nh_v_press()
117 void Cuda_FixNHCuda_nh_v_press_and_nve_v_NoBias(cuda_shared_data* sdata, int groupbit, double* fact… in Cuda_FixNHCuda_nh_v_press_and_nve_v_NoBias() argument
140 …FixNHCuda_nh_v_press_and_nve_v_NoBias_Kernel <<< grid, threads>>> (groupbit, factor, p_triclinic, … in Cuda_FixNHCuda_nh_v_press_and_nve_v_NoBias()
146 void Cuda_FixNHCuda_nh_v_temp(cuda_shared_data* sdata, int groupbit, F_FLOAT factor_eta, int mynloc… in Cuda_FixNHCuda_nh_v_temp() argument
167 FixNHCuda_nh_v_temp_Kernel <<< grid, threads>>> (groupbit, factor_eta); in Cuda_FixNHCuda_nh_v_temp()
172 void Cuda_FixNHCuda_nve_v(cuda_shared_data* sdata, int groupbit, int mynlocal) //mynlocal can be nf… in Cuda_FixNHCuda_nve_v() argument
193 FixNHCuda_nve_v_Kernel <<< grid, threads>>> (groupbit); in Cuda_FixNHCuda_nve_v()
199 void Cuda_FixNHCuda_nve_x(cuda_shared_data* sdata, int groupbit, int mynlocal) //mynlocal can be nf… in Cuda_FixNHCuda_nve_x() argument
221 FixNHCuda_nve_x_Kernel <<< grid, threads>>> (groupbit); in Cuda_FixNHCuda_nve_x()
[all …]
H A Dcompute_temp_partial_cuda_cu.h27 extern "C" void Cuda_ComputeTempPartialCuda_Vector(cuda_shared_data* sdata, int groupbit, ENERGY_FL…
28 extern "C" void Cuda_ComputeTempPartialCuda_Scalar(cuda_shared_data* sdata, int groupbit, ENERGY_FL…
29 extern "C" void Cuda_ComputeTempPartialCuda_RemoveBiasAll(cuda_shared_data* sdata, int groupbit, in…
30 extern "C" void Cuda_ComputeTempPartialCuda_RestoreBiasAll(cuda_shared_data* sdata, int groupbit, i…
H A Dcompute_temp_partial_cuda.cu71 void Cuda_ComputeTempPartialCuda_Vector(cuda_shared_data* sdata, int groupbit, ENERGY_FLOAT* t, int… in Cuda_ComputeTempPartialCuda_Vector() argument
85 …Vector_Kernel <<< grid, threads, threads.x* 6* sizeof(ENERGY_FLOAT)>>> (groupbit, xflag, yflag, zf… in Cuda_ComputeTempPartialCuda_Vector()
98 void Cuda_ComputeTempPartialCuda_Scalar(cuda_shared_data* sdata, int groupbit, ENERGY_FLOAT* t, int… in Cuda_ComputeTempPartialCuda_Scalar() argument
113 …da_Scalar_Kernel <<< grid, threads, threads.x* sizeof(ENERGY_FLOAT)>>> (groupbit, xflag, yflag, zf… in Cuda_ComputeTempPartialCuda_Scalar()
126 void Cuda_ComputeTempPartialCuda_RemoveBiasAll(cuda_shared_data* sdata, int groupbit, int xflag, in… in Cuda_ComputeTempPartialCuda_RemoveBiasAll() argument
140 …Cuda_ComputeTempPartialCuda_RemoveBiasAll_Kernel <<< grid, threads, 0>>> (groupbit, xflag, yflag, … in Cuda_ComputeTempPartialCuda_RemoveBiasAll()
146 void Cuda_ComputeTempPartialCuda_RestoreBiasAll(cuda_shared_data* sdata, int groupbit, int xflag, i… in Cuda_ComputeTempPartialCuda_RestoreBiasAll() argument
160 …Cuda_ComputeTempPartialCuda_RestoreBiasAll_Kernel <<< grid, threads, 0>>> (groupbit, xflag, yflag,… in Cuda_ComputeTempPartialCuda_RestoreBiasAll()
H A Dcompute_temp_partial_cuda_kernel.cu27 __global__ void Cuda_ComputeTempPartialCuda_Scalar_Kernel(int groupbit, int xflag, int yflag, int z… in Cuda_ComputeTempPartialCuda_Scalar_Kernel() argument
34 if(_mask[i] & groupbit) in Cuda_ComputeTempPartialCuda_Scalar_Kernel()
37 if(_mask[i] & groupbit) in Cuda_ComputeTempPartialCuda_Scalar_Kernel()
50 __global__ void Cuda_ComputeTempPartialCuda_Vector_Kernel(int groupbit, int xflag, int yflag, int z… in Cuda_ComputeTempPartialCuda_Vector_Kernel() argument
61 if(_mask[i] & groupbit) { in Cuda_ComputeTempPartialCuda_Vector_Kernel()
120 __global__ void Cuda_ComputeTempPartialCuda_RemoveBiasAll_Kernel(int groupbit, int xflag, int yflag… in Cuda_ComputeTempPartialCuda_RemoveBiasAll_Kernel() argument
125 if(_mask[i] & groupbit) { in Cuda_ComputeTempPartialCuda_RemoveBiasAll_Kernel()
143 __global__ void Cuda_ComputeTempPartialCuda_RestoreBiasAll_Kernel(int groupbit, int xflag, int yfla… in Cuda_ComputeTempPartialCuda_RestoreBiasAll_Kernel() argument
148 if(_mask[i] & groupbit) { in Cuda_ComputeTempPartialCuda_RestoreBiasAll_Kernel()
/dports/science/sparta/sparta-20Oct2021/src/
H A Dcompute_property_grid.cpp34 groupbit = grid->bitmask[igroup]; in ComputePropertyGrid()
188 if (cinfo[i].mask & groupbit) buf[n] = cells[i].id; in pack_id()
202 if (cinfo[i].mask & groupbit) buf[n] = cells[i].proc; in pack_proc()
216 if (cinfo[i].mask & groupbit) buf[n] = cells[i].lo[0]; in pack_xlo()
230 if (cinfo[i].mask & groupbit) buf[n] = cells[i].lo[1]; in pack_ylo()
244 if (cinfo[i].mask & groupbit) buf[n] = cells[i].lo[2]; in pack_zlo()
258 if (cinfo[i].mask & groupbit) buf[n] = cells[i].hi[0]; in pack_xhi()
272 if (cinfo[i].mask & groupbit) buf[n] = cells[i].hi[1]; in pack_yhi()
300 if (cinfo[i].mask & groupbit) in pack_xc()
315 if (cinfo[i].mask & groupbit) in pack_yc()
[all …]
H A Dremove_surf.cpp49 int groupbit = surf->bitmask[igroup]; in command() local
71 remove_2d(groupbit); in command()
75 remove_3d(groupbit); in command()
150 void RemoveSurf::remove_2d(int groupbit) in remove_2d() argument
162 if (!(lines[i].mask & groupbit)) continue; in remove_2d()
190 void RemoveSurf::remove_3d(int groupbit) in remove_3d() argument
202 if (!(tris[i].mask & groupbit)) continue; in remove_3d()
/dports/science/lammps/lammps-stable_29Sep2021/src/SPH/
H A Datom_vec_sph.cpp127 int nvalues, int groupbit) in pack_property_atom() argument
135 if (mask[i] & groupbit) buf[n] = rho[i]; in pack_property_atom()
141 if (mask[i] & groupbit) buf[n] = drho[i]; in pack_property_atom()
147 if (mask[i] & groupbit) buf[n] = esph[i]; in pack_property_atom()
153 if (mask[i] & groupbit) buf[n] = desph[i]; in pack_property_atom()
159 if (mask[i] & groupbit) buf[n] = cv[i]; in pack_property_atom()
/dports/science/lammps/lammps-stable_29Sep2021/src/DIELECTRIC/
H A Datom_vec_dielectric.cpp202 int nvalues, int groupbit) in pack_property_atom() argument
210 if (mask[i] & groupbit) buf[n] = area[i]; in pack_property_atom()
216 if (mask[i] & groupbit) buf[n] = ed[i]; in pack_property_atom()
222 if (mask[i] & groupbit) buf[n] = em[i]; in pack_property_atom()
228 if (mask[i] & groupbit) buf[n] = epsilon[i]; in pack_property_atom()
234 if (mask[i] & groupbit) buf[n] = curvature[i]; in pack_property_atom()
240 if (mask[i] & groupbit) buf[n] = q_unscaled[i]; in pack_property_atom()
/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/
H A Dfix_qeq_reaxff_omp.cpp188 if (mask[i] & groupbit) { in compute_H()
308 if (atom->mask[i] & groupbit) { in init_matvec()
336 if (atom->mask[i] & groupbit) { in init_matvec()
386 if (atom->mask[ii] & groupbit) { in CG()
519 if (atom->mask[i] & groupbit) { in sparse_matvec()
554 if (atom->mask[i] & groupbit) { in calculate_Q()
576 if (atom->mask[i] & groupbit) { in calculate_Q()
650 if (atom->mask[ii] & groupbit) { in dual_CG()
824 if (atom->mask[i] & groupbit) { in dual_sparse_matvec()
836 if (atom->mask[i] & groupbit) { in dual_sparse_matvec()
[all …]
/dports/science/lammps/lammps-stable_29Sep2021/src/EFF/
H A Datom_vec_electron.cpp137 int nvalues, int groupbit) in pack_property_atom() argument
145 if (mask[i] & groupbit) buf[n] = spin[i]; in pack_property_atom()
151 if (mask[i] & groupbit) buf[n] = eradius[i]; in pack_property_atom()
157 if (mask[i] & groupbit) buf[n] = ervel[i]; in pack_property_atom()
163 if (mask[i] & groupbit) buf[n] = erforce[i]; in pack_property_atom()
/dports/science/lammps/lammps-stable_29Sep2021/src/AWPMD/
H A Datom_vec_wavepacket.cpp130 int nvalues, int groupbit) in pack_property_atom() argument
137 if (mask[i] & groupbit) buf[n] = spin[i]; in pack_property_atom()
143 if (mask[i] & groupbit) buf[n] = eradius[i]; in pack_property_atom()
149 if (mask[i] & groupbit) buf[n] = ervel[i]; in pack_property_atom()
155 if (mask[i] & groupbit) buf[n] = erforce[i]; in pack_property_atom()

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