/dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/Tersoff_LAMMPS__MD_077075034781_004/ |
H A D | pair_tersoff_zbl.cpp | 87 string type_i, type_j, type_k; in read_params() local 186 const string type_j = to_spec.at(j); in prepare_params() local 227 const string type_j = to_spec.at(j); in write_params() local
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H A D | pair_tersoff.cpp | 495 string type_i, type_j, type_k; in read_params() local 582 const string type_j = to_spec.at(j); in prepare_params() local 692 const string type_j = to_spec.at(j); in write_params() local
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/dports/science/lammps/lammps-stable_29Sep2021/src/REAXFF/ |
H A D | reaxff_bonds.cpp | 39 int type_i, type_j; in Bonds() local
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H A D | reaxff_forces.cpp | 132 int type_i, type_j; in Init_Forces_noQEq() local 257 int type_i, type_j; in Estimate_Storages() local
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H A D | reaxff_hydrogen_bonds.cpp | 38 int type_i, type_j, type_k; in Hydrogen_Bonds() local
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H A D | reaxff_multi_body.cpp | 40 int i, j, pj, type_i, type_j; in Atom_Energy() local
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H A D | reaxff_bond_orders.cpp | 247 int i, j, pj, type_i, type_j; in BO() local
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H A D | reaxff_nonbonded.cpp | 218 int type_i, type_j, tmin, tmax; in Tabulated_vdW_Coulomb_Energy() local
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H A D | reaxff_valence_angles.cpp | 74 int type_i, type_j, type_k; in Valence_Angles() local
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H A D | reaxff_torsion_angles.cpp | 122 int type_i, type_j, type_k, type_l; in Torsion_Angles() local
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/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
H A D | reaxff_bonds_omp.cpp | 59 int type_i, type_j; in BondsOMP() local
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H A D | reaxff_hydrogen_bonds_omp.cpp | 56 int type_i, type_j, type_k; in Hydrogen_BondsOMP() local
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H A D | reaxff_multi_body_omp.cpp | 66 int i, j, pj, type_i, type_j; in Atom_EnergyOMP() local
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H A D | reaxff_nonbonded_omp.cpp | 244 int type_i, type_j, tmin, tmax; in Tabulated_vdW_Coulomb_Energy_OMP() local
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H A D | reaxff_forces_omp.cpp | 226 int type_i, type_j; in Init_Forces_noQEq_OMP() local
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H A D | reaxff_bond_orders_omp.cpp | 249 int i, j, pj, type_i, type_j; in BOOMP() local
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H A D | reaxff_torsion_angles_omp.cpp | 65 int type_i, type_j, type_k, type_l; in Torsion_AnglesOMP() local
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H A D | reaxff_valence_angles_omp.cpp | 124 int type_i, type_j, type_k; in Valence_AnglesOMP() local
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/dports/science/libefp/libefp-1.5.0/src/ |
H A D | int.c | 234 init_ft(size_t count_i, char type_j, double *ft) in init_ft() 310 size_t type_j = get_shell_idx(sh_j->type); in efp_st_int() local 469 size_t type_j = get_shell_idx(sh_j->type); in efp_st_int_deriv() local
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/dports/devel/tigcc/tigcc-0.96.b8_10/gnu/gcc-4.1-20060728/gcc/ |
H A D | cfgexpand.c | 323 tree type_j = TREE_TYPE (stack_vars[j].decl); in add_alias_set_conflicts() local
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/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxpreprocess/ |
H A D | toppush.cpp | 1680 int type_j, in natom_match()
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/auxil/ |
H A D | int_spcart.F | 2699 & type_j,type_i, argument 2723 integer type_j, type_i ! [input] angular momentem for j and i local
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/auxil/ |
H A D | int_spcart.F | 2699 & type_j,type_i, argument 2723 integer type_j, type_i ! [input] angular momentem for j and i local
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/dports/misc/opennn/opennn-5.0.5/opennn/ |
H A D | data_set.cpp | 5921 const ColumnType type_j = columns(current_input_index_j).type; in calculate_input_columns_correlations() local
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