event_execute.h File Reference

Declarations for functions that execute events. More...

#include <vector>
#include <mpi.h>
#include "lammps.h"
#include "bond.h"
#include "event.h"
#include "event_list.h"
#include "event_select.h"
#include "sim_clock.h"
#include "papreca_config.h"
#include "papreca_error.h"
#include "utilities.h"

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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

Declarations for functions that execute events.