PAPRECA hybrid off-lattice kMC/MD simulator  2.0.0 (17 September 2024)
event_execute.cpp File Reference

Definitions for event_detect.h. More...

#include "event_execute.h"
Include dependency graph for event_execute.cpp:

Namespaces

 PAPRECA
 

Functions

void PAPRECA::fillFormTransferDataArr (BondForm *bond_form, int *form_data)
 
void PAPRECA::deserializeFormTransferDataArr (int *form_data, int &bond_type, int &delete_atoms)
 
void PAPRECA::executeBondForm (LAMMPS_NS::LAMMPS *lmp, const int &proc_id, const int &nprocs, const int &event_proc, Event *selected_event)
 
void PAPRECA::executeBondBreak (LAMMPS_NS::LAMMPS *lmp, const int &proc_id, const int &nprocs, const int &event_proc, Event *selected_event, ATOM2BONDS_MAP &atomID2bonds)
 
void PAPRECA::fillDepoDataTransfArr (double *depo_data, Deposition *depo)
 
void PAPRECA::deserializeDepoTransfData (double *depo_data, double *site_pos, double *rot_pos, double &rot_theta, double &insertion_vel)
 
void PAPRECA::executeDeposition (LAMMPS_NS::LAMMPS *lmp, PaprecaConfig &papreca_config, const int &proc_id, const int &nprocs, const int &event_proc, Event *selected_event)
 
void PAPRECA::fillIntegerDiffDataTransfArray (int *diff_intdata, Diffusion *diff)
 
void PAPRECA::fillDoubleDiffDataTransfArray (double *diff_doubledata, Diffusion *diff)
 
void PAPRECA::deserializeIntegerDiffDataArr (int *diff_intdata, int &parent_type, int &is_displacive, int &diffused_type)
 
void PAPRECA::deserializeDoubleDiffDataArr (double *diff_doubledata, double *vac_pos, double &insertion_vel)
 
void PAPRECA::executeDiffusion (LAMMPS_NS::LAMMPS *lmp, PaprecaConfig &papreca_config, const int &proc_id, const int &nprocs, const int &event_proc, Event *selected_event)
 
void PAPRECA::executeMonoatomicDesorption (LAMMPS_NS::LAMMPS *lmp, const int &proc_id, const int &nprocs, const int &event_proc, Event *selected_event)
 
void PAPRECA::printStepInfo (PaprecaConfig &papreca_config, const int &KMC_loopid, const double &time, const double &film_height, const double &proc_rates_sum)
 
void PAPRECA::executeEvent (LAMMPS_NS::LAMMPS *lmp, PaprecaConfig &papreca_config, const int &proc_id, const int &nprocs, const int &event_proc, const int &event_num, char *event_type, std::vector< Event * > &events_local, ATOM2BONDS_MAP &atomID2bonds)
 
int PAPRECA::selectAndExecuteEvent (LAMMPS_NS::LAMMPS *lmp, int &KMC_loopid, double &time, char *event_type, int &proc_id, int &nprocs, PaprecaConfig &papreca_config, std::vector< Event * > &events_local, ATOM2BONDS_MAP &atomID2bonds, double &film_height)
 

Detailed Description

Definitions for event_detect.h.