| /dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-PAIR/ |
| H A D | pair_cosine_squared.cpp | 133 double sigma_one = utils::numeric(FLERR, arg[3],false,lmp); in coeff() local
152 if (cut_one < sigma_one) { in coeff()
154 } else if (cut_one == sigma_one) { in coeff()
166 sigma[i][j] = sigma_one; in coeff()
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| H A D | pair_lj_cubic.cpp | 199 double sigma_one = utils::numeric(FLERR,arg[3],false,lmp); in coeff() local
200 double rmin = sigma_one*RT6TWO; in coeff()
206 sigma[i][j] = sigma_one; in coeff()
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| H A D | pair_ufm.cpp | 193 double sigma_one = utils::numeric(FLERR,arg[3],false,lmp); in coeff() local
203 sigma[i][j] = sigma_one; in coeff()
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| H A D | pair_lj_smooth_linear.cpp | 200 double sigma_one = utils::numeric(FLERR,arg[3],false,lmp); in coeff() local
211 sigma[i][j] = sigma_one; in coeff()
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| H A D | pair_lj_mdf.cpp | 224 double sigma_one = utils::numeric(FLERR,arg[3],false,lmp); in coeff() local
239 sigma[i][j] = sigma_one; in coeff()
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| H A D | pair_wf_cut.cpp | 207 double sigma_one = utils::numeric(FLERR,arg[3],false,lmp); in coeff() local
218 sigma[i][j] = sigma_one; in coeff()
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| H A D | pair_lj_cut_coul_wolf.cpp | 243 double sigma_one = utils::numeric(FLERR,arg[3],false,lmp); in coeff() local
252 sigma[i][j] = sigma_one; in coeff()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MOLECULE/ |
| H A D | bond_fene.cpp | 155 double sigma_one = utils::numeric(FLERR,arg[4],false,lmp); in coeff() local
162 sigma[i] = sigma_one; in coeff()
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| H A D | bond_fene_expand.cpp | 160 double sigma_one = utils::numeric(FLERR,arg[4],false,lmp); in coeff() local
168 sigma[i] = sigma_one; in coeff()
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| H A D | pair_lj_charmm_coul_charmm.cpp | 254 double sigma_one = utils::numeric(FLERR,arg[3],false,lmp); in coeff() local
256 double sigma14_one = sigma_one; in coeff()
266 sigma[i][j] = sigma_one; in coeff()
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| H A D | pair_lj_charmmfsw_coul_charmmfsh.cpp | 278 double sigma_one = utils::numeric(FLERR,arg[3],false,lmp); in coeff() local
280 double sigma14_one = sigma_one; in coeff()
290 sigma[i][j] = sigma_one; in coeff()
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| /dports/science/bagel/bagel-1.2.2/src/ci/zfci/ |
| H A D | zharrison_compute.cc | 49 sigma_one(cc, sigmavec, jop, istate, /*diag*/true, /*transpose*/false); in form_sigma()
52 sigma_one(cc_trans, sigmavec_trans, jop, istate, /*diag*/false, /*transpose*/true); in form_sigma()
114 void ZHarrison::sigma_one(shared_ptr<const ZCivec> cc, shared_ptr<RelZDvec> sigmavec, shared_ptr<co… in sigma_one() function in ZHarrison
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| /dports/science/lammps/lammps-stable_29Sep2021/src/FEP/ |
| H A D | pair_lj_class2_soft.cpp | 202 double sigma_one = utils::numeric(FLERR,arg[3],false,lmp); in coeff() local
204 if (sigma_one <= 0.0) error->all(FLERR,"Incorrect args for pair coefficients"); in coeff()
213 sigma[i][j] = sigma_one; in coeff()
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| H A D | pair_lj_cut_coul_cut_soft.cpp | 238 double sigma_one = utils::numeric(FLERR,arg[3],false,lmp); in coeff() local
240 if (sigma_one <= 0.0) in coeff()
252 sigma[i][j] = sigma_one; in coeff()
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| H A D | pair_lj_class2_coul_cut_soft.cpp | 237 double sigma_one = utils::numeric(FLERR,arg[3],false,lmp); in coeff() local
239 if (sigma_one <= 0.0) in coeff()
251 sigma[i][j] = sigma_one; in coeff()
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| H A D | pair_lj_class2_coul_long_soft.cpp | 250 double sigma_one = utils::numeric(FLERR,arg[3],false,lmp); in coeff() local
252 if (sigma_one <= 0.0) in coeff()
262 sigma[i][j] = sigma_one; in coeff()
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| H A D | pair_lj_cut_soft.cpp | 483 double sigma_one = utils::numeric(FLERR,arg[3],false,lmp); in coeff() local
485 if (sigma_one <= 0.0) in coeff()
495 sigma[i][j] = sigma_one; in coeff()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/DPD-REACT/ |
| H A D | pair_dpd_fdt.cpp | 286 double sigma_one = utils::numeric(FLERR,arg[3],false,lmp); in coeff() local
297 sigma[i][j] = sigma_one; in coeff()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/MC/ |
| H A D | pair_dsmc.cpp | 250 double sigma_one = utils::numeric(FLERR,arg[2],false,lmp); in coeff() local
258 sigma[i][j] = sigma_one; in coeff()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/BODY/ |
| H A D | pair_body_nparticle.cpp | 394 double sigma_one = utils::numeric(FLERR,arg[3],false,lmp); in coeff() local
403 sigma[i][j] = sigma_one; in coeff()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/ASPHERE/ |
| H A D | pair_line_lj.cpp | 376 double sigma_one = utils::numeric(FLERR,arg[5],false,lmp); in coeff() local
388 sigma[i][j] = sigma_one; in coeff()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/ |
| H A D | pair_born.cpp | 208 double sigma_one = utils::numeric(FLERR,arg[4],false,lmp); in coeff() local
221 sigma[i][j] = sigma_one; in coeff()
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| H A D | pair_lj_expand.cpp | 201 double sigma_one = utils::numeric(FLERR,arg[3],false,lmp); in coeff() local
211 sigma[i][j] = sigma_one; in coeff()
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| /dports/science/lammps/lammps-stable_29Sep2021/src/CG-SDK/ |
| H A D | pair_lj_sdk.cpp | 270 double sigma_one = utils::numeric(FLERR,arg[4],false,lmp); in coeff() local
280 sigma[i][j] = sigma_one; in coeff()
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| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
| H A D | pair_line_lj.cpp | 397 double sigma_one = force->numeric(FLERR,arg[3]); in coeff() local
406 sigma[i][j] = sigma_one; in coeff()
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