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

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

assignAtom1(const LAMMPS_NS::tagint &atom1id_in)PAPRECA::Reaction
assignAtom2(const LAMMPS_NS::tagint &atom2id_in)PAPRECA::Reaction
assignBondType(const int &bond_type_ind)PAPRECA::Reaction
assignRate(const double &rate_in)PAPRECA::Event
assignType(const std::string &type_in)PAPRECA::Event
atom1idPAPRECA::Reactionprotected
atom2idPAPRECA::Reactionprotected
bond_typePAPRECA::Reactionprotected
deleteAndClearLocalEvents(LAMMPS_NS::LAMMPS *lmp, std::vector< Event * > &events_local)PAPRECA::Eventstatic
Event()PAPRECA::Event
Event(const double &rate_in, const std::string &type_in)PAPRECA::Event
fillRatesArr(double *event_rates, const std::vector< Event * > &events)PAPRECA::Eventstatic
fillRatesVec(std::vector< double > &event_rates, const std::vector< Event * > &events)PAPRECA::Eventstatic
getAtom1ID() constPAPRECA::Reaction
getAtom2ID() constPAPRECA::Reaction
getBondType() constPAPRECA::Reaction
getRate() constPAPRECA::Event
getRatesVec(const std::vector< Event * > &events)PAPRECA::Eventstatic
getSumOfRates(const std::vector< Event * > &events)PAPRECA::Eventstatic
getType() constPAPRECA::Event
initialize(const LAMMPS_NS::tagint &atom1id_in, const LAMMPS_NS::tagint &atom2id_in, const int &bond_type_in, const double &rate_in)PAPRECA::Reaction
ratePAPRECA::Eventprotected
Reaction(const double &rate_in, const LAMMPS_NS::tagint &atom1id_in, const LAMMPS_NS::tagint &atom2id_in, const int &bond_type_in)PAPRECA::Reaction
resetEvent()PAPRECA::Reaction
setRate(const double &rate_in)PAPRECA::Event
typePAPRECA::Eventprotected
~Event()PAPRECA::Eventvirtual
~Reaction()PAPRECA::Reaction