| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/cuda/ |
| H A D | cuda_pair_kernel.cu | 191 const F_FLOAT forcecoul = factor_coul * _qqrd2e * qiqj * _RSQRT_(rsq); in Pair_Kernel_TpA() local
206 F_FLOAT forcecoul = factor_coul * _qqrd2e * qiqj * screening ; in Pair_Kernel_TpA() local
229 F_FLOAT forcecoul = prefactor * (erfc + EWALD_F * grij * expm2); in Pair_Kernel_TpA() local
502 F_FLOAT forcecoul = prefactor * (erfc + EWALD_F * grij * expm2); in Pair_Kernel_BpA() local
521 F_FLOAT forcecoul = factor_coul * _qqrd2e * qiqj * screening ; in Pair_Kernel_BpA() local
533 const F_FLOAT forcecoul = factor_coul * _qqrd2e * qiqj * _RSQRT_(rsq); in Pair_Kernel_BpA() local
866 F_FLOAT forcecoul = factor_coul * _qqrd2e * qiqj * screening ; in Pair_Kernel_TpA_opt() local
889 F_FLOAT forcecoul = prefactor * (erfc + EWALD_F * grij * expm2); in Pair_Kernel_TpA_opt() local
1163 F_FLOAT forcecoul = prefactor * (erfc + EWALD_F * grij * expm2); in Pair_Kernel_BpA_opt() local
1182 F_FLOAT forcecoul = factor_coul * _qqrd2e * qiqj * screening ; in Pair_Kernel_BpA_opt() local
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| H A D | pair_lj_charmm_coul_charmm_implicit_cuda_kernel_nc.cu | 26 F_FLOAT forcecoul; in CoulCharmmImplicitCuda_Eval() local
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| H A D | pair_lj_gromacs_coul_gromacs_cuda_kernel_nc.cu | 28 F_FLOAT forcecoul = _RSQRT_(rsq); in CoulGromacsCuda_Eval() local
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| H A D | pair_lj_charmm_coul_charmm_cuda_kernel_nc.cu | 55 F_FLOAT forcecoul; in CoulCharmmCuda_Eval() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-PAIR/ |
| H A D | pair_coul_slater_cut.cpp | 41 double rsq,r2inv,r,rinv,forcecoul,factor_coul,bracket_term; in compute() local
172 double r2inv,r,rinv,forcecoul,phicoul,bracket_term; in single() local
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| H A D | pair_lj_cut_coul_debye.cpp | 37 double rsq,r2inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; in compute() local
195 double r2inv,r6inv,r,rinv,screening,forcecoul,forcelj,phicoul,philj; in single() local
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| H A D | pair_coul_exclude.cpp | 54 double rsq,r2inv,rinv,forcecoul,factor_coul; in compute() local
288 double r2inv,rinv,forcecoul,phicoul; in single() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MOLECULE/ |
| H A D | pair_lj_charmm_coul_charmm_implicit.cpp | 36 double rsq,r2inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; in compute() local
160 double r2inv,r6inv,switch1,switch2,forcecoul,forcelj,phicoul,philj; in single() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/ |
| H A D | pair_coul_debye.cpp | 37 double rsq,r2inv,r,rinv,forcecoul,factor_coul,screening; in compute() local
167 double r2inv,r,rinv,forcecoul,phicoul,screening; in single() local
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| H A D | pair_coul_cut.cpp | 57 double rsq,r2inv,rinv,forcecoul,factor_coul; in compute() local
330 double r2inv,rinv,forcecoul,phicoul; in single() local
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| H A D | pair_coul_wolf.cpp | 60 double rsq,forcecoul,factor_coul; in compute() local
297 double forcecoul,phicoul; in single() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/ |
| H A D | pair_coul_msm.cpp | 45 double r,r2inv,forcecoul,factor_coul; in compute() local
170 double fraction,table,forcecoul,phicoul; in single() local
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| H A D | pair_buck_coul_msm.cpp | 51 double rsq,r2inv,r6inv,forcecoul,forcebuck,factor_coul,factor_lj; in compute() local
211 double forcecoul,forcebuck,phicoul,phibuck; in single() local
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| H A D | pair_born_coul_msm.cpp | 54 double rsq,r2inv,r6inv,forcecoul,forceborn,factor_coul,factor_lj; in compute() local
215 double forcecoul,forceborn,phicoul,phiborn; in single() local
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| H A D | pair_lj_cut_coul_msm.cpp | 55 double r,r2inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; in compute() local
234 double r,r2inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; in compute_outer() local
417 double fraction,table,forcecoul,forcelj,phicoul,philj; in single() local
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| H A D | pair_lj_charmm_coul_msm.cpp | 56 double r,r2inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; in compute() local
248 double r,r2inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; in compute_outer() local
461 double switch1,switch2,fraction,table,forcecoul,forcelj,phicoul,philj; in single() local
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| H A D | pair_lj_charmm_coul_long.cpp | 92 double r,r2inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; in compute() local
230 double rsq,r2inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; in compute_inner() local
307 double rsq,r2inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; in compute_middle() local
398 double r,r2inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; in compute_outer() local
916 double switch1,switch2,fraction,table,forcecoul,forcelj,phicoul,philj; in single() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/DIELECTRIC/ |
| H A D | pair_lj_cut_coul_cut_dielectric.cpp | 61 double rsq, r2inv, r6inv, forcecoul, forcelj, factor_coul, factor_lj, efield_i, epot_i; in compute() local
207 double r2inv, r6inv, forcecoul, forcelj, phicoul, ei, ej, philj; in single() local
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| H A D | pair_lj_cut_coul_debye_dielectric.cpp | 61 double rsq, r2inv, r6inv, forcecoul, forcelj, factor_coul, factor_lj, efield_i, epot_i; in compute() local
211 double r2inv, r6inv, forcecoul, forcelj, phicoul, ei, ej, philj; in single() local
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| H A D | pair_lj_cut_coul_msm_dielectric.cpp | 69 double r, r2inv, r6inv, forcecoul, forcelj, factor_coul, factor_lj; in compute() local
293 double fraction, table, forcecoul, forcelj, phicoul, philj; in single() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/CORESHELL/ |
| H A D | pair_lj_cut_coul_long_cs.cpp | 59 double r,r2inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; in compute() local
200 double rsq,r2inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; in compute_inner() local
286 double rsq,r2inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; in compute_middle() local
381 double r,r2inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; in compute_outer() local
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| H A D | pair_lj_class2_coul_long_cs.cpp | 54 double rsq,r,rinv,r2inv,r3inv,r6inv,forcecoul,forcelj; in compute() local
197 double rsq,rinv,r2inv,r3inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; in compute_inner() local
285 double rsq,rinv,r2inv,r3inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; in compute_middle() local
382 double r,rinv,r2inv,r3inv,r6inv,forcecoul,forcelj,factor_coul,factor_lj; in compute_outer() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/CG-SDK/ |
| H A D | pair_lj_sdk_coul_msm.cpp | 79 double r,rsq,r2inv,forcecoul,forcelj,factor_coul,factor_lj; in eval_msm() local
224 double fraction,table,forcecoul,forcelj,phicoul,philj; in single() local
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| /dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/ |
| H A D | lal_coul.cu | 94 numtyp forcecoul, force; in k_coul() local
188 numtyp forcecoul, force; in k_coul_fast() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/FEP/ |
| H A D | pair_coul_cut_soft.cpp | 61 double rsq,forcecoul,factor_coul; in compute() local
355 double forcecoul,phicoul; in single() local
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