/dports/science/lammps/lammps-stable_29Sep2021/src/INTEL/ |
H A D | pair_tersoff_intel.h | 60 flt_t bigr, bigd, lam1, biga; member 66 flt_t lam3, bigr, bigd, c2, d2, h, gamma, powermint; member 70 flt_t bigr, bigd, lam1, biga; member 76 flt_t lam3, powermint, bigr, bigd; member
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/dports/science/lammps/lammps-stable_29Sep2021/src/GPU/ |
H A D | pair_tersoff_gpu.cpp | 161 double *biga, *bigb, *bigr, *bigd; in init_style() local 166 biga = bigb = bigr = bigd = nullptr; in init_style() 178 memory->create(bigd,nparams,"pair:bigd"); in init_style() 199 bigd[i] = params[i].bigd; in init_style() 218 powermint, biga, bigb, bigr, bigd, in init_style() 229 memory->destroy(bigd); in init_style()
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H A D | pair_tersoff_mod_gpu.cpp | 155 double *biga, *bigb, *bigr, *bigd; in init_style() local 159 biga = bigb = bigr = bigd = nullptr; in init_style() 171 memory->create(bigd,nparams,"pair:bigd"); in init_style() 192 bigd[i] = params[i].bigd; in init_style() 211 powermint, biga, bigb, bigr, bigd, in init_style() 222 memory->destroy(bigd); in init_style()
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H A D | pair_tersoff_zbl_gpu.cpp | 162 double *biga, *bigb, *bigr, *bigd; in init_style() local 167 biga = bigb = bigr = bigd = nullptr; in init_style() 179 memory->create(bigd,nparams,"pair:bigd"); in init_style() 204 bigd[i] = params[i].bigd; in init_style() 227 powermint, biga, bigb, bigr, bigd, in init_style() 239 memory->destroy(bigd); in init_style()
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/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
H A D | pair_tersoff_zbl_omp.cpp | 149 params[nparams].bigd = values.next_double(); in read_file() 174 params[nparams].bigd < 0.0 || in read_file() 175 params[nparams].bigd > params[nparams].bigr || in read_file() 212 fa = (r > param->bigr + param->bigd) ? 0.0 : in force_zeta() 216 fa_d = (r > param->bigr + param->bigd) ? 0.0 : in force_zeta()
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/dports/science/lammps/lammps-stable_29Sep2021/src/MANYBODY/ |
H A D | pair_gw_zbl.cpp | 129 params[nparams].bigd = values.next_double(); in read_file() 152 params[nparams].bigd < 0.0 || in read_file() 153 params[nparams].bigd > params[nparams].bigr || in read_file() 222 if (r > param->bigr + param->bigd) return 0.0; in gw_fa() 231 if (r > param->bigr + param->bigd) return 0.0; in gw_fa_d()
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H A D | pair_tersoff_zbl.cpp | 131 params[nparams].bigd = values.next_double(); in read_file() 156 params[nparams].bigd < 0.0 || in read_file() 157 params[nparams].bigd > params[nparams].bigr || in read_file() 230 if (r > param->bigr + param->bigd) return 0.0; in ters_fa() 239 if (r > param->bigr + param->bigd) return 0.0; in ters_fa_d()
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H A D | pair_tersoff_mod.cpp | 112 params[nparams].bigd = values.next_double(); in read_file() 137 params[nparams].bigd < 0.0 || in read_file() 138 params[nparams].bigd > params[nparams].bigr || in read_file() 193 params[m].cut = params[m].bigr + params[m].bigd; in setup_params() 235 double ters_D = param->bigd; in ters_fc() 248 double ters_D = param->bigd; in ters_fc_d()
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H A D | pair_tersoff_mod_c.cpp | 101 params[nparams].bigd = values.next_double(); in read_file() 129 params[nparams].bigd < 0.0 || in read_file() 130 params[nparams].bigd > params[nparams].bigr || in read_file()
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H A D | pair_gw.cpp | 374 params[nparams].bigd = values.next_double(); in read_file() 391 params[nparams].bigr < 0.0 ||params[nparams].bigd < 0.0 || in read_file() 392 params[nparams].bigd > params[nparams].bigr || in read_file() 446 params[m].cut = params[m].bigr + params[m].bigd; in setup_params() 546 double gw_D = param->bigd; in gw_fc() 558 double gw_D = param->bigd; in gw_fc_d() 569 if (r > param->bigr + param->bigd) return 0.0; in gw_fa() 577 if (r > param->bigr + param->bigd) return 0.0; in gw_fa_d()
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H A D | pair_tersoff.cpp | 486 params[nparams].bigd = values.next_double(); in read_file() 507 params[nparams].bigd < 0.0 || in read_file() 508 params[nparams].bigd > params[nparams].bigr || in read_file() 563 params[m].cut = params[m].bigr + params[m].bigd; in setup_params() 670 double ters_D = param->bigd; in ters_fc() 682 double ters_D = param->bigd; in ters_fc_d() 693 if (r > param->bigr + param->bigd) return 0.0; in ters_fa() 701 if (r > param->bigr + param->bigd) return 0.0; in ters_fa_d()
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H A D | pair_vashishta.h | 42 double lambda1, bigd, mbigd, lambda4, bigw, cut; 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 628 bigd = ts2_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 833 bigd = ts2_param.w; in k_tersoff_mod_three_end() 856 bigd = ts2_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 1047 bigd = ts2_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() 1078 bigd = ts2_param.w; in k_tersoff_mod_three_end_vatom() [all …]
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H A D | lal_tersoff.cu | 579 const numtyp bigd = ts1_in[ONETYPE3].w; in k_tersoff_three_center() local 677 const numtyp bigd = ts1_ijkparam.w; in k_tersoff_three_center() local 754 const numtyp bigd = ts1_in[ONETYPE3].w; in k_tersoff_three_end() local 892 numtyp bigd = ts1_param.w; in k_tersoff_three_end() local 903 attractive_fj(bigr, bigd, powermint, lam3, c, d, h, gamma, in k_tersoff_three_end() 917 bigd = ts1_param.w; in k_tersoff_three_end() 976 const numtyp bigd = ts1_in[ONETYPE3].w; in k_tersoff_three_end_vatom() local 1114 numtyp bigd = ts1_param.w; in k_tersoff_three_end_vatom() local 1125 attractive(bigr, bigd, powermint, lam3, c, d, h, gamma, in k_tersoff_three_end_vatom() 1148 bigd = ts1_param.w; 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 659 bigd = ts2_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 858 bigd = ts2_param.w; in k_tersoff_zbl_three_end() 878 bigd = ts2_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 1064 bigd = ts2_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() 1092 bigd = ts2_param.w; in k_tersoff_zbl_three_end_vatom() [all …]
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H A D | lal_tersoff.h | 45 const double* bigr, const double* bigd, const double* c1, const double* c2,
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H A D | lal_tersoff_mod.h | 45 const double* bigr, const double* bigd, const double* c1, const double* c2,
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H A D | lal_tersoff.cpp | 50 const double* biga, const double* bigb, const double* bigr, const double* bigd, in init() argument 144 dview[i].w=static_cast<numtyp>(bigd[i]); in init() 155 dview[i].w=static_cast<numtyp>(bigd[i]); in init()
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H A D | lal_tersoff_zbl.h | 45 const double* bigr, const double* bigd, const double* c1, const double* c2,
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/dports/math/py-sympy/sympy-1.9/sympy/physics/quantum/tests/ |
H A D | test_printing.py | 603 bigd = WignerD(1, 2, 3, 4, 5, 6) 689 assert str(bigd) == 'WignerD(1, 2, 3, 4, 5, 6)' 702 assert pretty(bigd) == ascii_str 703 assert upretty(bigd) == ucode_str 704 assert latex(bigd) == r'D^{1}_{2,3}\left(4,5,6\right)' 705 sT(bigd, "WignerD(Integer(1), Integer(2), Integer(3), Integer(4), Integer(5), Integer(6))")
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/cuda/ |
H A D | pair_tersoff_cuda_cu.h | 31 F_FLOAT biga, bigb, bigd, bigr; member
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H A D | pair_tersoff_cuda_kernel_nc.cu | 254 F_FLOAT ters_D = params[iparam].bigd; in repulsive() 361 F_FLOAT ters_D = params[iparam].bigd; in force_zeta() 377 F_FLOAT ters_D = params[iparam].bigd; in force_zeta_prefactor_force() 391 fa = ters_fa(r, iparam, params[iparam].bigr, params[iparam].bigd); in force_zeta_prefactor() 445 const F_FLOAT fc = ters_fc(rik, params[iparam].bigr, params[iparam].bigd); in ters_zetaterm_d() 446 const F_FLOAT dfc = ters_fc_d(rik, params[iparam].bigr, params[iparam].bigd); in ters_zetaterm_d() 510 const F_FLOAT fc = ters_fc(rik, params[iparam].bigr, params[iparam].bigd); in ters_zetaterm_d_fi() 511 const F_FLOAT dfc = ters_fc_d(rik, params[iparam].bigr, params[iparam].bigd); in ters_zetaterm_d_fi() 550 const F_FLOAT fc = ters_fc(rik, params[iparam].bigr, params[iparam].bigd); in ters_zetaterm_d_fj() 586 const F_FLOAT fc = ters_fc(rik, params[iparam].bigr, params[iparam].bigd); in ters_zetaterm_d_fk() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
H A D | pair_tersoff_kokkos.h | 157 bigr=0;bigd=0;lam1=0;biga=0;cutsq=0;c1=0;c2=0;c3=0;c4=0;}; in params_ters() 160 bigr=0;bigd=0;lam1=0;biga=0;cutsq=0;c1=0;c2=0;c3=0;c4=0;}; in params_ters() 162 bigd, lam1, biga, cutsq, c1, c2, c3, c4; member
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H A D | pair_tersoff_mod_kokkos.h | 156 params_ters() {powerm=0;lam3=0;h=0;powern=0;beta=0;lam2=0;bigb=0;bigr=0;bigd=0; in params_ters() 159 params_ters(int /*i*/) {powerm=0;lam3=0;h=0;powern=0;beta=0;lam2=0;bigb=0;bigr=0;bigd=0; in params_ters() 161 F_FLOAT powerm, lam3, h, powern, beta, lam2, bigb, bigr, bigd, member
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H A D | pair_tersoff_zbl_kokkos.h | 156 … bigr=0;bigd=0;lam1=0;biga=0;cutsq=0;c1=0;c2=0;c3=0;c4=0;Z_i=0;Z_j=0;ZBLcut=0;ZBLexpscale=0;}; in params_ters() 159 … bigr=0;bigd=0;lam1=0;biga=0;cutsq=0;c1=0;c2=0;c3=0;c4=0;Z_i=0;Z_j=0;ZBLcut=0;ZBLexpscale=0;}; in params_ters() 161 bigd, lam1, biga, cutsq, c1, c2, c3, c4, Z_i, Z_j, ZBLcut, ZBLexpscale; member
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