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Searched refs:bigd (Results 1 – 25 of 59) sorted by relevance

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/dports/science/lammps/lammps-stable_29Sep2021/src/INTEL/
H A Dpair_tersoff_intel.h60 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
/dports/science/lammps/lammps-stable_29Sep2021/src/GPU/
H A Dpair_tersoff_gpu.cpp161 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()
H A Dpair_tersoff_mod_gpu.cpp155 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()
H A Dpair_tersoff_zbl_gpu.cpp162 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()
/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/
H A Dpair_tersoff_zbl_omp.cpp149 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()
/dports/science/lammps/lammps-stable_29Sep2021/src/MANYBODY/
H A Dpair_gw_zbl.cpp129 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()
H A Dpair_tersoff_zbl.cpp131 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()
H A Dpair_tersoff_mod.cpp112 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()
H A Dpair_tersoff_mod_c.cpp101 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()
H A Dpair_gw.cpp374 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()
H A Dpair_tersoff.cpp486 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()
H A Dpair_vashishta.h42 double lambda1, bigd, mbigd, lambda4, bigw, cut; member
/dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/
H A Dlal_tersoff_mod.cu520 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 …]
H A Dlal_tersoff.cu579 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 …]
H A Dlal_tersoff_zbl.cu553 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 …]
H A Dlal_tersoff.h45 const double* bigr, const double* bigd, const double* c1, const double* c2,
H A Dlal_tersoff_mod.h45 const double* bigr, const double* bigd, const double* c1, const double* c2,
H A Dlal_tersoff.cpp50 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()
H A Dlal_tersoff_zbl.h45 const double* bigr, const double* bigd, const double* c1, const double* c2,
/dports/math/py-sympy/sympy-1.9/sympy/physics/quantum/tests/
H A Dtest_printing.py603 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))")
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/cuda/
H A Dpair_tersoff_cuda_cu.h31 F_FLOAT biga, bigb, bigd, bigr; member
H A Dpair_tersoff_cuda_kernel_nc.cu254 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 …]
/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/
H A Dpair_tersoff_kokkos.h157 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
H A Dpair_tersoff_mod_kokkos.h156 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
H A Dpair_tersoff_zbl_kokkos.h156 … 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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