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Searched defs:num_dihedral (Results 1 – 25 of 28) sorted by relevance

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/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Dntopo_dihedral_partial.cpp46 int *num_dihedral = atom->num_dihedral; in build() local
H A Dntopo_dihedral_all.cpp45 int *num_dihedral = atom->num_dihedral; in build() local
H A Dntopo_dihedral_template.cpp48 int *num_dihedral; in build() local
H A Ddelete_bonds.cpp222 int *num_dihedral = atom->num_dihedral; in command() local
H A Ddelete_atoms.cpp539 int *num_dihedral = atom->num_dihedral; in recount_topology() local
599 int *num_dihedral = daptr->atom->num_dihedral; in bondring() local
H A Dspecial.cpp770 int *num_dihedral = atom->num_dihedral; in angle_trim() local
1032 int *num_dihedral = atom->num_dihedral; in dihedral_trim() local
H A Dcompute_dihedral_local.cpp204 int *num_dihedral = atom->num_dihedral; in compute_dihedrals() local
H A Dcreate_bonds.cpp467 int *num_dihedral = atom->num_dihedral; in single_dihedral() local
H A Dmolecule.h75 int *num_dihedral; variable
H A Dreset_atom_ids.cpp190 int *num_dihedral = atom->num_dihedral; in command() local
H A Dcreate_atoms.cpp479 int *num_dihedral = atom->num_dihedral; in command() local
H A Dcompute_property_local.cpp547 int *num_dihedral = atom->num_dihedral; in count_dihedrals() local
/dports/science/lammps/lammps-stable_29Sep2021/src/MSCG/
H A Dfix_mscg.cpp151 int *num_dihedral = atom->num_dihedral; in post_constructor() local
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Ddelete_bonds.cpp230 int *num_dihedral = atom->num_dihedral; in command() local
H A Dneigh_bond.cpp338 int *num_dihedral = atom->num_dihedral; in dihedral_all() local
392 int *num_dihedral = atom->num_dihedral; in dihedral_partial() local
H A Dspecial.cpp672 int *num_dihedral = atom->num_dihedral; in angle_trim() local
798 int *num_dihedral = atom->num_dihedral; in dihedral_trim() local
H A Datom_vec.cpp282 int *num_dihedral = atom->num_dihedral; in pack_dihedral() local
H A Dwrite_data.cpp561 int *num_dihedral = atom->num_dihedral; in dihedrals() local
H A Datom.h137 int *num_dihedral; variable
H A Dcompute_property_local.cpp524 int *num_dihedral = atom->num_dihedral; in count_dihedrals() local
/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/
H A Dneigh_bond_kokkos.h108 typename AT::t_int_1d num_dihedral; variable
H A Datom_vec_full_kokkos.h96 int *num_dihedral; variable
H A Datom_vec_molecular_kokkos.h109 int *num_dihedral; variable
/dports/science/lammps/lammps-stable_29Sep2021/src/MC/
H A Dfix_bond_break.cpp593 int num_dihedral = atom->num_dihedral[m]; in break_dihedrals() local
H A Dfix_bond_create.cpp942 int num_dihedral = atom->num_dihedral[m]; in create_dihedrals() local

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