/dports/science/lammps/lammps-stable_29Sep2021/src/CORESHELL/ |
H A D | pair_coul_long_cs.cpp | 27 #define EWALD_F 1.12837917 macro 118 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2 - (1.0-factor_coul)); in compute() 129 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in compute()
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H A D | pair_born_coul_long_cs.cpp | 27 #define EWALD_F 1.12837917 macro 121 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2 - (1.0-factor_coul)); in compute() 132 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in compute()
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H A D | pair_buck_coul_long_cs.cpp | 27 #define EWALD_F 1.12837917 macro 121 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2 - (1.0-factor_coul)); in compute() 132 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in compute()
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H A D | pair_lj_cut_coul_long_cs.cpp | 27 #define EWALD_F 1.12837917 macro 123 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2 - (1.0-factor_coul)); in compute() 134 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in compute() 448 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2 - 1.0); in compute_outer() 525 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in compute_outer()
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H A D | pair_lj_class2_coul_long_cs.cpp | 23 #define EWALD_F 1.12837917 macro 118 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2 - (1.0-factor_coul)); in compute() 129 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in compute() 449 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2 - 1.0); in compute_outer() 530 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in compute_outer()
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/dports/science/lammps/lammps-stable_29Sep2021/src/DIELECTRIC/ |
H A D | pair_coul_long_dielectric.cpp | 36 #define EWALD_F 1.12837917 macro 143 forcecoul = prefactor * (erfc + EWALD_F * grij * expm2); in compute() 147 efield_i = prefactorE * (erfc + EWALD_F * grij * expm2); in compute()
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H A D | pair_lj_cut_coul_long_dielectric.cpp | 36 #define EWALD_F 1.12837917 macro 159 forcecoul = prefactor * (erfc + EWALD_F * grij * expm2); in compute() 163 efield_i = prefactorE * (erfc + EWALD_F * grij * expm2); in compute() 286 forcecoul = prefactor * (erfc + EWALD_F * grij * expm2); in single()
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H A D | pair_lj_long_coul_long_dielectric.cpp | 38 #define EWALD_F 1.12837917 macro 185 force_coul = prefactor * (erfc + EWALD_F * grij * expm2); in compute() 189 efield_i = prefactorE * (erfc + EWALD_F * grij * expm2); in compute() 335 force_coul = (t *= ((((t * A5 + A4) * t + A3) * t + A2) * t + A1) * s / x) + EWALD_F * s - r; in single()
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/dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/ |
H A D | lal_coul_long_cs.cu | 121 force = prefactor * (_erfc + EWALD_F*grij*expm2 - ((numtyp)1.0-factor_coul)); in k_coul_long_cs() 133 force = prefactor*(_erfc + EWALD_F*grij*expm2); in k_coul_long_cs() 241 force = prefactor * (_erfc + EWALD_F*grij*expm2 - ((numtyp)1.0-factor_coul)); in k_coul_long_cs_fast() 252 force = prefactor * (_erfc + EWALD_F*grij*expm2); in k_coul_long_cs_fast()
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H A D | lal_born_coul_long_cs.cu | 132 forcecoul = prefactor * (_erfc + EWALD_F*grij*expm2 - ((numtyp)1.0-factor_coul)); in k_born_coul_long_cs() 143 forcecoul = prefactor*(_erfc + EWALD_F*grij*expm2); in k_born_coul_long_cs() 276 forcecoul = prefactor * (_erfc + EWALD_F*grij*expm2 - ((numtyp)1.0-factor_coul)); in k_born_coul_long_cs_fast() 287 forcecoul = prefactor*(_erfc + EWALD_F*grij*expm2); in k_born_coul_long_cs_fast()
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/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-PAIR/ |
H A D | pair_coul_slater_long.cpp | 35 #define EWALD_F 1.12837917 macro 128 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2 - slater_term); in compute() 366 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2 - slater_term); in single()
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/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
H A D | pair_lj_cut_coul_long_dielectric_omp.cpp | 33 #define EWALD_F 1.12837917 macro 188 forcecoul = prefactor * (erfc + EWALD_F * grij * expm2); in eval() 192 efield_i = prefactorE * (erfc + EWALD_F * grij * expm2); in eval()
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H A D | pair_coul_long_soft_omp.cpp | 29 #define EWALD_F 1.12837917 macro 148 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval()
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H A D | pair_coul_long_omp.cpp | 29 #define EWALD_F 1.12837917 macro 147 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval()
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H A D | pair_born_coul_long_omp.cpp | 29 #define EWALD_F 1.12837917 macro 148 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval()
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H A D | pair_lj_charmm_coul_long_soft_omp.cpp | 140 const double EWALD_F = 1.12837917; in eval() local 151 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval()
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H A D | pair_lj_cut_coul_long_soft_omp.cpp | 29 #define EWALD_F 1.12837917 macro 152 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval()
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H A D | pair_lj_class2_coul_long_omp.cpp | 29 #define EWALD_F 1.12837917 macro 151 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval()
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H A D | pair_lj_charmm_coul_long_omp.cpp | 141 const double EWALD_F = 1.12837917; in eval() local 150 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval()
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/dports/science/lammps/lammps-stable_29Sep2021/src/GPU/ |
H A D | pair_coul_long_cs_gpu.cpp | 36 #define EWALD_F 1.12837917 macro 277 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2 - (1.0-factor_coul)); in cpu_compute() 288 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in cpu_compute()
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H A D | pair_born_coul_long_cs_gpu.cpp | 38 #define EWALD_F 1.12837917 macro 282 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2 - (1.0-factor_coul)); in cpu_compute() 293 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in cpu_compute()
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/dports/science/lammps/lammps-stable_29Sep2021/src/OPT/ |
H A D | pair_lj_charmm_coul_long_opt.cpp | 31 #define EWALD_F 1.12837917 macro 165 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval() 254 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval()
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H A D | pair_lj_cut_coul_long_opt.cpp | 23 #define EWALD_F 1.12837917 macro 139 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval()
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/dports/science/lammps/lammps-stable_29Sep2021/src/FEP/ |
H A D | pair_coul_long_soft.cpp | 36 #define EWALD_F 1.12837917 macro 130 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in compute() 367 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in single()
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/dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/ |
H A D | pair_coul_long.cpp | 34 #define EWALD_F 1.12837917 macro 128 forcecoul = prefactor * (erfc + EWALD_F * grij * expm2); in compute() 348 forcecoul = prefactor * (erfc + EWALD_F * grij * expm2); in single()
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