| /dports/science/lammps/lammps-stable_29Sep2021/src/GPU/ |
| H A D | pair_tersoff_gpu.cpp | 160 double *lam1, *lam2, *lam3, *powermint; in init_style() local
165 lam1 = lam2 = lam3 = powermint = nullptr; in init_style()
174 memory->create(powermint,nparams,"pair:powermint"); in init_style()
195 powermint[i] = params[i].powermint; in init_style()
218 powermint, biga, bigb, bigr, bigd, in init_style()
225 memory->destroy(powermint); in init_style()
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| H A D | pair_tersoff_mod_gpu.cpp | 154 double *lam1, *lam2, *lam3, *powermint; in init_style() local
158 lam1 = lam2 = lam3 = powermint = nullptr; in init_style()
167 memory->create(powermint,nparams,"pair:powermint"); in init_style()
188 powermint[i] = params[i].powermint; in init_style()
211 powermint, biga, bigb, bigr, bigd, in init_style()
218 memory->destroy(powermint); in init_style()
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| H A D | pair_tersoff_zbl_gpu.cpp | 161 double *lam1, *lam2, *lam3, *powermint; in init_style() local
166 lam1 = lam2 = lam3 = powermint = nullptr; in init_style()
175 memory->create(powermint,nparams,"pair:powermint"); in init_style()
200 powermint[i] = params[i].powermint; in init_style()
227 powermint, biga, bigb, bigr, bigd, in init_style()
235 memory->destroy(powermint); in init_style()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MANYBODY/ |
| H A D | pair_tersoff_mod.cpp | 121 params[nparams].powermint = int(params[nparams].powerm); in read_file()
141 params[nparams].powerm - params[nparams].powermint != 0.0 || in read_file()
142 (params[nparams].powermint != 3 && in read_file()
143 params[nparams].powermint != 1) in read_file()
220 if (param->powermint == 3) arg = cube(param->lam3 * (rij-rik)); in zeta()
293 if (param->powermint == 3) tmp = cube(param->lam3 * (rij-rik)); in ters_zetaterm_d()
300 if (param->powermint == 3) in ters_zetaterm_d()
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| H A D | pair_tersoff_mod_c.cpp | 111 params[nparams].powermint = int(params[nparams].powerm); in read_file()
133 params[nparams].powerm - params[nparams].powermint != 0.0 || in read_file()
134 (params[nparams].powermint != 3 && in read_file()
135 params[nparams].powermint != 1) in read_file()
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| H A D | pair_gw_zbl.cpp | 136 params[nparams].powermint = int(params[nparams].powerm); in read_file()
155 params[nparams].powerm - params[nparams].powermint != 0.0 || in read_file()
156 (params[nparams].powermint != 3 && params[nparams].powermint != 1) || in read_file()
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| H A D | pair_tersoff_zbl.cpp | 138 params[nparams].powermint = int(params[nparams].powerm); in read_file()
160 params[nparams].powerm - params[nparams].powermint != 0.0 || in read_file()
161 (params[nparams].powermint != 3 && in read_file()
162 params[nparams].powermint != 1) || in read_file()
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| H A D | pair_gw.cpp | 377 params[nparams].powermint = int(params[nparams].powerm); in read_file()
394 params[nparams].powerm - params[nparams].powermint != 0.0 || in read_file()
395 (params[nparams].powermint != 3 && params[nparams].powermint != 1) || in read_file()
489 if (param->powermint == 3) arg = pow(param->lam3 * (rij-rik),3.0); in zeta()
611 if (param->powermint == 3) tmp = pow(param->lam3 * (rij-rik),3.0); in gw_zetaterm_d()
618 if (param->powermint == 3) in gw_zetaterm_d()
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| H A D | pair_tersoff.cpp | 489 params[nparams].powermint = int(params[nparams].powerm); in read_file()
511 params[nparams].powerm - params[nparams].powermint != 0.0 || in read_file()
512 (params[nparams].powermint != 3 && in read_file()
513 params[nparams].powermint != 1) || in read_file()
609 if (param->powermint == 3) arg = cube(param->lam3 * (rij-rik)); in zeta()
753 if (param->powermint == 3) tmp = cube(param->lam3 * (rij-rik)); in ters_zetaterm_d()
760 if (param->powermint == 3) in ters_zetaterm_d()
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| H A D | pair_tersoff_table.h | 57 int powermint; member
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| H A D | pair_gw.h | 49 int powermint; member
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| H A D | pair_extep.cpp | 637 params[nparams].powermint = int(params[nparams].powerm); in read_file()
645 params[nparams].powerm - params[nparams].powermint != 0.0 || in read_file()
646 (params[nparams].powermint != 3 && params[nparams].powermint != 1) || in read_file()
822 if (param->powermint == 3) arg = pow(param->lam3 * (rij-rik),3.0); in zeta()
959 if (param->powermint == 3) tmp = pow(param->lam3 * (rij-rik),3.0); in ters_zetaterm_d()
966 if (param->powermint == 3) in ters_zetaterm_d()
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| H A D | pair_tersoff.h | 51 int powermint; member
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| H A D | pair_extep.h | 50 int powermint; member
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| /dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
| H A D | pair_tersoff_zbl_omp.cpp | 156 params[nparams].powermint = int(params[nparams].powerm); in read_file()
178 params[nparams].powerm - params[nparams].powermint != 0.0 || in read_file()
179 (params[nparams].powermint != 3 && in read_file()
180 params[nparams].powermint != 1) || in read_file()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/INTEL/ |
| H A D | pair_tersoff_intel.h | 66 flt_t lam3, bigr, bigd, c2, d2, h, gamma, powermint; member
76 flt_t lam3, powermint, bigr, bigd; member
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| /dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/ |
| H A D | lal_tersoff_mod.cu | 520 numtyp lam3, powermint, bigr, bigd, c1, c2, c3, c4, c5, h; in k_tersoff_mod_three_center() local
625 powermint = ts1_ijkparam.w; in k_tersoff_mod_three_center()
638 attractive(bigr, bigd, powermint, lam3, h, c1, c2, c3, c4, c5, in k_tersoff_mod_three_center()
685 numtyp lam3, powermint, bigr, bigd, c1, c2, c3, c4, c5, h; in k_tersoff_mod_three_end() local
830 powermint = ts1_param.w; in k_tersoff_mod_three_end()
853 powermint = ts1_param.w; in k_tersoff_mod_three_end()
899 numtyp lam3, powermint, bigr, bigd, c1, c2, c3, c4, c5, h; in k_tersoff_mod_three_end_vatom() local
1044 powermint = ts1_param.w; in k_tersoff_mod_three_end_vatom()
1056 attractive(bigr, bigd, powermint, lam3, h, c1, c2, c3, c4, c5, in k_tersoff_mod_three_end_vatom()
1075 powermint = ts1_param.w; in k_tersoff_mod_three_end_vatom()
[all …]
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| H A D | lal_tersoff.cu | 577 const int powermint = SPQ; // ts1_in[ONETYPE3].y; in k_tersoff_three_center() local
675 const int powermint = ts1_ijkparam.y; in k_tersoff_three_center() local
752 const int powermint = SPQ; //ts1_in[ONETYPE3].y; in k_tersoff_three_end() local
890 int powermint = ts1_param.y; in k_tersoff_three_end() local
903 attractive_fj(bigr, bigd, powermint, lam3, c, d, h, gamma, in k_tersoff_three_end()
915 powermint = ts1_param.y; in k_tersoff_three_end()
974 const int powermint = SPQ; //ts1_in[ONETYPE3].y; in k_tersoff_three_end_vatom() local
1112 int powermint = ts1_param.y; in k_tersoff_three_end_vatom() local
1125 attractive(bigr, bigd, powermint, lam3, c, d, h, gamma, in k_tersoff_three_end_vatom()
1146 powermint = ts1_param.y; in k_tersoff_three_end_vatom()
[all …]
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| H A D | lal_tersoff_zbl.cu | 553 numtyp lam3, powermint, bigr, bigd, c, d, h, gamma; in k_tersoff_zbl_three_center() local
656 powermint = ts1_ijkparam.w; in k_tersoff_zbl_three_center()
666 attractive(bigr, bigd, powermint, lam3, c, d, h, gamma, in k_tersoff_zbl_three_center()
712 numtyp lam3, powermint, bigr, bigd, c, d, h, gamma; in k_tersoff_zbl_three_end() local
855 powermint = ts1_param.w; in k_tersoff_zbl_three_end()
875 powermint = ts1_param.w; in k_tersoff_zbl_three_end()
917 numtyp lam3, powermint, bigr, bigd, c, d, h, gamma; in k_tersoff_zbl_three_end_vatom() local
1061 powermint = ts1_param.w; in k_tersoff_zbl_three_end_vatom()
1070 attractive(bigr, bigd, powermint, lam3, c, d, h, gamma, in k_tersoff_zbl_three_end_vatom()
1089 powermint = ts1_param.w; in k_tersoff_zbl_three_end_vatom()
[all …]
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| H A D | lal_tersoff.h | 44 const double* powermint, const double* biga, const double* bigb,
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| H A D | lal_tersoff_mod.h | 44 const double* powermint, const double* biga, const double* bigb,
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| H A D | lal_tersoff.cpp | 49 … const double* lam1, const double* lam2, const double* lam3,const double* powermint, in init() argument
79 if (onetype>=0) spq=powermint[onetype3]; in init()
142 dview[i].y=static_cast<numtyp>(powermint[i]); in init()
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| H A D | lal_tersoff_zbl.h | 44 const double* powermint, const double* biga, const double* bigb,
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| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/cuda/ |
| H A D | pair_tersoff_cuda_cu.h | 35 int powermint; member
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| H A D | pair_tersoff_cuda_kernel_nc.cu | 238 …arg = (params[iparam].powermint == 3) ? (params[iparam].lam3 * (rij - rik) * params[iparam].lam3 *… in zeta()
421 …if(params[iparam].powermint == 3) tmp = (params[iparam].lam3 * (rij - rik) * params[iparam].lam3 *… in ters_zetaterm_d()
428 if(params[iparam].powermint == 3) in ters_zetaterm_d()
480 …if(params[iparam].powermint == 3) tmp = (params[iparam].lam3 * (rij - rik) * params[iparam].lam3 *… in ters_zetaterm_d_fi()
487 if(params[iparam].powermint == 3) in ters_zetaterm_d_fi()
528 …if(params[iparam].powermint == 3) tmp = (params[iparam].lam3 * (rij - rik) * params[iparam].lam3 *… in ters_zetaterm_d_fj()
535 if(params[iparam].powermint == 3) in ters_zetaterm_d_fj()
564 …if(params[iparam].powermint == 3) tmp = (params[iparam].lam3 * (rij - rik) * params[iparam].lam3 *… in ters_zetaterm_d_fk()
571 if(params[iparam].powermint == 3) in ters_zetaterm_d_fk()
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