PAPRECA hybrid off-lattice kMC/MD simulator  2.0.0 (17 September 2024)
PAPRECA::Bond Member List

This is the complete list of members for PAPRECA::Bond, including all inherited members.

addBond2BondVector(int &bond_type, LAMMPS_NS::tagint &parent_atomID, LAMMPS_NS::tagint &bond_atomID, const bool &head_atom_parent, ATOM2BONDS_MAP &atomID2bonds)PAPRECA::Bondstatic
assignBondAtom(const LAMMPS_NS::tagint &bond_atom_in)PAPRECA::Bond
assignBondType(const int &bond_type_in)PAPRECA::Bond
atomHasBonds(const LAMMPS_NS::tagint &iatom_id, ATOM2BONDS_MAP &atomID2bonds)PAPRECA::Bondstatic
atomIDIsMapped(LAMMPS_NS::tagint &parent_atomID, ATOM2BONDS_MAP &atomID2bonds)PAPRECA::Bondstatic
Bond()PAPRECA::Bond
Bond(const LAMMPS_NS::tagint &bond_atom_in, const int &bond_type_in, const bool &head_parent_atom_in)PAPRECA::Bond
bond_atomPAPRECA::Bondprivate
bond_typePAPRECA::Bondprivate
fillAtomID2BondsContainer(ATOM2BONDS_MAP &atomID2bonds, LAMMPS_NS::tagint *bonds_list, const LAMMPS_NS::bigint &bonds_num)PAPRECA::Bondstatic
getBondAtom() constPAPRECA::Bond
getBondType() constPAPRECA::Bond
head_parent_atomPAPRECA::Bondprivate
initAtomID2BondsMap(LAMMPS_NS::LAMMPS *lmp, const int &proc_id, ATOM2BONDS_MAP &atomID2bonds)PAPRECA::Bondstatic
parentAtomIsHead() constPAPRECA::Bond
recursiveCollectBondedAtoms(LAMMPS_NS::tagint &atom_id, std::vector< LAMMPS_NS::tagint > &delids_local, TAGINT_SET &delids_set, ATOM2BONDS_MAP &atomID2bonds)PAPRECA::Bondstatic
~Bond()PAPRECA::Bond