| /dports/science/lammps/lammps-stable_29Sep2021/src/MANYBODY/ |
| H A D | pair_vashishta_table.cpp | 200 if (rsq < tabinnersq) { in twobody_table()
208 const int tableIndex = (rsq - tabinnersq)*oneOverDeltaR2; in twobody_table()
209 const double fraction = (rsq - tabinnersq)*oneOverDeltaR2 - tableIndex; in twobody_table()
258 tabinnersq = tabinner*tabinner; in create_tables()
260 deltaR2 = (cutmax*cutmax - tabinnersq) / (ntable-1); in create_tables()
277 rsq = tabinnersq + idx*deltaR2; in create_tables()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/ |
| H A D | pair_coul_msm.cpp | 104 if (!ncoultablebits || rsq <= tabinnersq) { in compute()
138 if (!ncoultablebits || rsq <= tabinnersq) in compute()
174 if (!ncoultablebits || rsq <= tabinnersq) { in single()
198 if (!ncoultablebits || rsq <= tabinnersq) in single()
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| H A D | pair_lj_cut_coul_msm.cpp | 126 if (!ncoultablebits || rsq <= tabinnersq) { in compute()
193 if (!ncoultablebits || rsq <= tabinnersq) in compute()
297 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
354 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
378 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
422 if (!ncoultablebits || rsq <= tabinnersq) { in single()
454 if (!ncoultablebits || rsq <= tabinnersq) in single()
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| H A D | pair_lj_charmm_coul_msm.cpp | 127 if (!ncoultablebits || rsq <= tabinnersq) { in compute()
203 if (!ncoultablebits || rsq <= tabinnersq) in compute()
312 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
377 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
405 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
466 if (!ncoultablebits || rsq <= tabinnersq) { in single()
504 if (!ncoultablebits || rsq <= tabinnersq) in single()
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| H A D | pair_coul_long.cpp | 121 if (!ncoultablebits || rsq <= tabinnersq) { in compute()
157 if (!ncoultablebits || rsq <= tabinnersq) in compute()
341 if (!ncoultablebits || rsq <= tabinnersq) { in single()
366 if (!ncoultablebits || rsq <= tabinnersq) in single()
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| H A D | pair_lj_cut_coul_long.cpp | 141 if (!ncoultablebits || rsq <= tabinnersq) { in compute()
184 if (!ncoultablebits || rsq <= tabinnersq) in compute()
454 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
513 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
537 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
887 if (!ncoultablebits || rsq <= tabinnersq) { in single()
921 if (!ncoultablebits || rsq <= tabinnersq) in single()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/OPT/ |
| H A D | pair_lj_charmm_coul_long_opt.cpp | 156 if (!ncoultablebits || rsq <= tabinnersq) { in eval()
206 if (!ncoultablebits || rsq <= tabinnersq) in eval()
245 if (!ncoultablebits || rsq <= tabinnersq) { in eval()
304 if (!ncoultablebits || rsq <= tabinnersq) in eval()
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| H A D | pair_lj_cut_coul_long_opt.cpp | 132 if (!CTABLE || rsq <= tabinnersq) { in eval()
175 if (!CTABLE || rsq <= tabinnersq) in eval()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/DIELECTRIC/ |
| H A D | pair_lj_cut_coul_long_dielectric.cpp | 152 if (!ncoultablebits || rsq <= tabinnersq) { in compute()
216 if (!ncoultablebits || rsq <= tabinnersq) in compute()
279 if (!ncoultablebits || rsq <= tabinnersq) { in single()
323 if (!ncoultablebits || rsq <= tabinnersq) in single()
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| H A D | pair_lj_cut_coul_msm_dielectric.cpp | 161 if (!ncoultablebits || rsq <= tabinnersq) { in compute()
253 if (!ncoultablebits || rsq <= tabinnersq) in compute()
298 if (!ncoultablebits || rsq <= tabinnersq) { in single()
332 if (!ncoultablebits || rsq <= tabinnersq) in single()
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| H A D | pair_coul_long_dielectric.cpp | 136 if (!ncoultablebits || rsq <= tabinnersq) { in compute()
187 if (!ncoultablebits || rsq <= tabinnersq) in compute()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/CORESHELL/ |
| H A D | pair_lj_cut_coul_long_cs.cpp | 110 if (!ncoultablebits || rsq <= tabinnersq) { in compute()
170 if (!ncoultablebits || rsq <= tabinnersq) in compute()
440 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
500 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
524 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
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| H A D | pair_coul_long_cs.cpp | 105 if (!ncoultablebits || rsq <= tabinnersq) { in compute()
158 if (!ncoultablebits || rsq <= tabinnersq) in compute()
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| H A D | pair_lj_class2_coul_long_cs.cpp | 105 if (!ncoultablebits || rsq <= tabinnersq) { in compute()
167 if (!ncoultablebits || rsq <= tabinnersq) in compute()
441 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
503 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
529 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
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| H A D | pair_born_coul_long_cs.cpp | 108 if (!ncoultablebits || rsq <= tabinnersq) { in compute()
171 if (!ncoultablebits || rsq <= tabinnersq) in compute()
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| H A D | pair_buck_coul_long_cs.cpp | 108 if (!ncoultablebits || rsq <= tabinnersq) { in compute()
169 if (!ncoultablebits || rsq <= tabinnersq) in compute()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
| H A D | pair_coul_msm_omp.cpp | 138 if (!ncoultablebits || rsq <= tabinnersq) { in eval()
172 if (!ncoultablebits || rsq <= tabinnersq) in eval()
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| H A D | pair_coul_long_omp.cpp | 140 if (!ncoultablebits || rsq <= tabinnersq) { in eval()
176 if (!ncoultablebits || rsq <= tabinnersq) in eval()
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| H A D | pair_lj_cut_coul_msm_omp.cpp | 142 if (!ncoultablebits || rsq <= tabinnersq) { in eval()
184 if (!ncoultablebits || rsq <= tabinnersq) in eval()
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| H A D | pair_lj_class2_coul_long_omp.cpp | 144 if (!ncoultablebits || rsq <= tabinnersq) { in eval()
190 if (!ncoultablebits || rsq <= tabinnersq) in eval()
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| H A D | pair_lj_cut_coul_long_omp.cpp | 144 if (!ncoultablebits || rsq <= tabinnersq) { in eval()
188 if (!ncoultablebits || rsq <= tabinnersq) in eval()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/INTEL/ |
| H A D | pair_lj_charmm_coul_long_intel.cpp | 170 const flt_t tabinnersq = fc.tabinnersq; in eval() local
206 in(ncoultablebits,tabinnersq,ncoulmask,ncoulshiftbits) in eval()
338 if (!ncoultablebits || rsq <= tabinnersq) { in eval()
592 fc.tabinnersq = tabinnersq; in pack_force_const()
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| H A D | pair_lj_cut_coul_long_intel.cpp | 165 const flt_t tabinnersq = fc.tabinnersq; in eval() local
200 in(ncoultablebits,tabinnersq,ncoulmask,ncoulshiftbits) in eval()
331 if (!ncoultablebits || rsq <= tabinnersq) { in eval()
551 fc.tabinnersq = tabinnersq; in pack_force_const()
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| H A D | pair_buck_coul_long_intel.cpp | 164 const flt_t tabinnersq = fc.tabinnersq; in eval() local
199 in(ncoultablebits,tabinnersq,ncoulmask,ncoulshiftbits) in eval()
332 if (!ncoultablebits || rsq <= tabinnersq) { in eval()
548 fc.tabinnersq = tabinnersq; in pack_force_const()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/CLASS2/ |
| H A D | pair_lj_class2_coul_long.cpp | 136 if (!ncoultablebits || rsq <= tabinnersq) { in compute()
181 if (!ncoultablebits || rsq <= tabinnersq) in compute()
454 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
515 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
541 if (!ncoultablebits || rsq <= tabinnersq) { in compute_outer()
899 if (!ncoultablebits || rsq <= tabinnersq) { in single()
933 if (!ncoultablebits || rsq <= tabinnersq) in single()
|