PAPRECA hybrid off-lattice kMC/MD simulator
2.0.0 (17 September 2024)
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Child of PAPRECA::Event dedicated to monoatomic or molecular adsorption. More...
#include <event.h>
Public Member Functions | |
Deposition (const double &rate_in, const double site_pos_in[3], const double rot_pos_in[3], const double &rot_theta_in, const int &mol_id_in, const std::string &mol_name_in, PredefinedDeposition *depo_template_in) | |
~Deposition () | |
double * | getSitePos () |
double * | getRotPos () |
const double & | getRotTheta () const |
const int & | getMolId () const |
const std::string & | getMolName () const |
PredefinedDeposition * | getDepoTemplate () |
Public Member Functions inherited from PAPRECA::Event | |
Event () | |
Event (const double &rate_in, const std::string &type_in) | |
virtual | ~Event () |
void | assignRate (const double &rate_in) |
void | assignType (const std::string &type_in) |
const double & | getRate () const |
void | setRate (const double &rate_in) |
const std::string & | getType () const |
Protected Attributes | |
double | site_pos [3] |
double | rot_pos [3] |
double | rot_theta |
int | mol_id |
std::string | mol_name = "NONE" |
Protected Attributes inherited from PAPRECA::Event | |
double | rate |
std::string | type |
Private Attributes | |
PredefinedDeposition * | depo_template = NULL |
Additional Inherited Members | |
Static Public Member Functions inherited from PAPRECA::Event | |
static void | fillRatesArr (double *event_rates, const std::vector< Event * > &events) |
static void | fillRatesVec (std::vector< double > &event_rates, const std::vector< Event * > &events) |
static std::vector< double > | getRatesVec (const std::vector< Event * > &events) |
static double | getSumOfRates (const std::vector< Event * > &events) |
static void | deleteAndClearLocalEvents (LAMMPS_NS::LAMMPS *lmp, std::vector< Event * > &events_local) |
Child of PAPRECA::Event dedicated to monoatomic or molecular adsorption.
PAPRECA::Deposition::Deposition | ( | const double & | rate_in, |
const double | site_pos_in[3], | ||
const double | rot_pos_in[3], | ||
const double & | rot_theta_in, | ||
const int & | mol_id_in, | ||
const std::string & | mol_name_in, | ||
PredefinedDeposition * | depo_template_in | ||
) |
PAPRECA::Deposition::~Deposition | ( | ) |
PredefinedDeposition * PAPRECA::Deposition::getDepoTemplate | ( | ) |
const int & PAPRECA::Deposition::getMolId | ( | ) | const |
const std::string & PAPRECA::Deposition::getMolName | ( | ) | const |
double * PAPRECA::Deposition::getRotPos | ( | ) |
const double & PAPRECA::Deposition::getRotTheta | ( | ) | const |
double * PAPRECA::Deposition::getSitePos | ( | ) |
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