PAPRECA hybrid off-lattice kMC/MD simulator
2.0.0 (17 September 2024)
|
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::Bond | static |
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::Bond | static |
atomIDIsMapped(LAMMPS_NS::tagint &parent_atomID, ATOM2BONDS_MAP &atomID2bonds) | PAPRECA::Bond | static |
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_atom | PAPRECA::Bond | private |
bond_type | PAPRECA::Bond | private |
fillAtomID2BondsContainer(ATOM2BONDS_MAP &atomID2bonds, LAMMPS_NS::tagint *bonds_list, const LAMMPS_NS::bigint &bonds_num) | PAPRECA::Bond | static |
getBondAtom() const | PAPRECA::Bond | |
getBondType() const | PAPRECA::Bond | |
head_parent_atom | PAPRECA::Bond | private |
initAtomID2BondsMap(LAMMPS_NS::LAMMPS *lmp, const int &proc_id, ATOM2BONDS_MAP &atomID2bonds) | PAPRECA::Bond | static |
parentAtomIsHead() const | PAPRECA::Bond | |
recursiveCollectBondedAtoms(LAMMPS_NS::tagint &atom_id, std::vector< LAMMPS_NS::tagint > &delids_local, TAGINT_SET &delids_set, ATOM2BONDS_MAP &atomID2bonds) | PAPRECA::Bond | static |
~Bond() | PAPRECA::Bond |