PAPRECA hybrid off-lattice kMC/MD simulator
2.0.0 (17 September 2024)
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child of PAPRECA::Event class dedicated to diffusion events. More...
#include <event.h>
Public Member Functions | |
Diffusion (const double &rate_in, const double vacancy_pos_in[3], const LAMMPS_NS::tagint &parent_id_in, const int &parent_type_in, const int &is_displacive_in, const int &diffused_type_in, PredefinedDiffusionHop *diff_template_in) | |
~Diffusion () | |
double * | getVacancyPos () |
const LAMMPS_NS::tagint & | getParentId () const |
const int & | getParentType () const |
int | isDisplacive () |
const int & | getDiffusedType () const |
PredefinedDiffusionHop * | getDiffTemplate () |
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 | vacancy_pos [3] |
LAMMPS_NS::tagint | parent_id = -1 |
int | parent_type = -2 |
int | is_displacive = 0 |
Displacive diffusion events "displace" the parent atom. This is defined as an integer (and not as bool, even though in realitiy, it is a bool) to facilitate the transfering of data using MPI. More... | |
int | diffused_type = -3 |
Protected Attributes inherited from PAPRECA::Event | |
double | rate |
std::string | type |
Private Attributes | |
PredefinedDiffusionHop * | diff_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 class dedicated to diffusion events.
PAPRECA::Diffusion::Diffusion | ( | const double & | rate_in, |
const double | vacancy_pos_in[3], | ||
const LAMMPS_NS::tagint & | parent_id_in, | ||
const int & | parent_type_in, | ||
const int & | is_displacive_in, | ||
const int & | diffused_type_in, | ||
PredefinedDiffusionHop * | diff_template_in | ||
) |
PAPRECA::Diffusion::~Diffusion | ( | ) |
PredefinedDiffusionHop * PAPRECA::Diffusion::getDiffTemplate | ( | ) |
const int & PAPRECA::Diffusion::getDiffusedType | ( | ) | const |
const LAMMPS_NS::tagint & PAPRECA::Diffusion::getParentId | ( | ) | const |
const int & PAPRECA::Diffusion::getParentType | ( | ) | const |
double * PAPRECA::Diffusion::getVacancyPos | ( | ) |
int PAPRECA::Diffusion::isDisplacive | ( | ) |
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Displacive diffusion events "displace" the parent atom. This is defined as an integer (and not as bool, even though in realitiy, it is a bool) to facilitate the transfering of data using MPI.
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protected |
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