PAPRECA hybrid off-lattice kMC/MD simulator
2.0.0 (17 September 2024)
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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 | |
atom1id | PAPRECA::Reaction | protected |
atom2id | PAPRECA::Reaction | protected |
bond_type | PAPRECA::Reaction | protected |
deleteAndClearLocalEvents(LAMMPS_NS::LAMMPS *lmp, std::vector< Event * > &events_local) | PAPRECA::Event | static |
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::Event | static |
fillRatesVec(std::vector< double > &event_rates, const std::vector< Event * > &events) | PAPRECA::Event | static |
getAtom1ID() const | PAPRECA::Reaction | |
getAtom2ID() const | PAPRECA::Reaction | |
getBondType() const | PAPRECA::Reaction | |
getRate() const | PAPRECA::Event | |
getRatesVec(const std::vector< Event * > &events) | PAPRECA::Event | static |
getSumOfRates(const std::vector< Event * > &events) | PAPRECA::Event | static |
getType() const | PAPRECA::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 | |
rate | PAPRECA::Event | protected |
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 | |
type | PAPRECA::Event | protected |
~Event() | PAPRECA::Event | virtual |
~Reaction() | PAPRECA::Reaction |