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Searched defs:dihedral_type (Results 1 – 25 of 26) sorted by relevance

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/dports/science/lammps/lammps-stable_29Sep2021/src/MOLECULE/
H A Datom_vec_full.h40 int **bond_type, **angle_type, **dihedral_type, **improper_type; variable
H A Datom_vec_molecular.h40 int **bond_type, **angle_type, **dihedral_type, **improper_type; variable
/dports/science/lammps/lammps-stable_29Sep2021/src/DIELECTRIC/
H A Datom_vec_dielectric.h43 int **bond_type, **angle_type, **dihedral_type, **improper_type; variable
/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Dntopo_dihedral_partial.cpp51 int **dihedral_type = atom->dihedral_type; in build() local
H A Dntopo_dihedral_all.cpp50 int **dihedral_type = atom->dihedral_type; in build() local
H A Dntopo_dihedral_template.cpp50 int **dihedral_type; in build() local
H A Ddelete_bonds.cpp223 int **dihedral_type = atom->dihedral_type; in command() local
H A Dcreate_bonds.cpp468 int **dihedral_type = atom->dihedral_type; in single_dihedral() local
H A Dmolecule.h76 int **dihedral_type; variable
H A Ddelete_atoms.cpp610 int **dihedral_type = daptr->atom->dihedral_type; in bondring() local
H A Dcompute_property_local.cpp886 int **dihedral_type = atom->dihedral_type; in pack_dtype() local
H A Datom.h101 int **dihedral_type; variable
H A Datom_vec.cpp2162 int **dihedral_type = atom->dihedral_type; in pack_dihedral() local
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Ddelete_bonds.cpp231 int **dihedral_type = atom->dihedral_type; in command() local
H A Dneigh_bond.cpp343 int **dihedral_type = atom->dihedral_type; in dihedral_all() local
397 int **dihedral_type = atom->dihedral_type; in dihedral_partial() local
H A Datom_vec.cpp283 int **dihedral_type = atom->dihedral_type; in pack_dihedral() local
H A Datom.h138 int **dihedral_type; variable
H A Dcompute_property_local.cpp862 int **dihedral_type = atom->dihedral_type; in pack_dtype() local
/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/
H A Dneigh_bond_kokkos.h109 typename AT::t_int_2d dihedral_type; variable
H A Datom_vec_full_kokkos.h97 int **dihedral_type; variable
H A Datom_vec_molecular_kokkos.h110 int **dihedral_type; variable
/dports/science/lammps/lammps-stable_29Sep2021/tools/msi2lmp/src/
H A DMakeLists.c591 int j,k,n,match,dihedral_type=0; in build_dihedraltypes_list() local
/dports/science/lammps/lammps-stable_29Sep2021/src/MC/
H A Dfix_bond_break.cpp594 int *dihedral_type = atom->dihedral_type[m]; in break_dihedrals() local
H A Dfix_bond_create.cpp943 int *dihedral_type = atom->dihedral_type[m]; in create_dihedrals() local
/dports/science/lammps/lammps-stable_29Sep2021/src/REACTION/
H A Dfix_bond_react.cpp3231 int **dihedral_type = atom->dihedral_type; in update_everything() local

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