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Searched refs:EWALD_F (Results 1 – 25 of 115) sorted by relevance

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/dports/science/lammps/lammps-stable_29Sep2021/src/CORESHELL/
H A Dpair_coul_long_cs.cpp27 #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()
H A Dpair_born_coul_long_cs.cpp27 #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()
H A Dpair_buck_coul_long_cs.cpp27 #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()
H A Dpair_lj_cut_coul_long_cs.cpp27 #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()
H A Dpair_lj_class2_coul_long_cs.cpp23 #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()
/dports/science/lammps/lammps-stable_29Sep2021/src/DIELECTRIC/
H A Dpair_coul_long_dielectric.cpp36 #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()
H A Dpair_lj_cut_coul_long_dielectric.cpp36 #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()
H A Dpair_lj_long_coul_long_dielectric.cpp38 #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()
/dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/
H A Dlal_coul_long_cs.cu121 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()
H A Dlal_born_coul_long_cs.cu132 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()
/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-PAIR/
H A Dpair_coul_slater_long.cpp35 #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()
/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/
H A Dpair_lj_cut_coul_long_dielectric_omp.cpp33 #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()
H A Dpair_coul_long_soft_omp.cpp29 #define EWALD_F 1.12837917 macro
148 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval()
H A Dpair_coul_long_omp.cpp29 #define EWALD_F 1.12837917 macro
147 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval()
H A Dpair_born_coul_long_omp.cpp29 #define EWALD_F 1.12837917 macro
148 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval()
H A Dpair_lj_charmm_coul_long_soft_omp.cpp140 const double EWALD_F = 1.12837917; in eval() local
151 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval()
H A Dpair_lj_cut_coul_long_soft_omp.cpp29 #define EWALD_F 1.12837917 macro
152 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval()
H A Dpair_lj_class2_coul_long_omp.cpp29 #define EWALD_F 1.12837917 macro
151 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval()
H A Dpair_lj_charmm_coul_long_omp.cpp141 const double EWALD_F = 1.12837917; in eval() local
150 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval()
/dports/science/lammps/lammps-stable_29Sep2021/src/GPU/
H A Dpair_coul_long_cs_gpu.cpp36 #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()
H A Dpair_born_coul_long_cs_gpu.cpp38 #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()
/dports/science/lammps/lammps-stable_29Sep2021/src/OPT/
H A Dpair_lj_charmm_coul_long_opt.cpp31 #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()
H A Dpair_lj_cut_coul_long_opt.cpp23 #define EWALD_F 1.12837917 macro
139 forcecoul = prefactor * (erfc + EWALD_F*grij*expm2); in eval()
/dports/science/lammps/lammps-stable_29Sep2021/src/FEP/
H A Dpair_coul_long_soft.cpp36 #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()
/dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/
H A Dpair_coul_long.cpp34 #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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