#include "equilibration.h"

Include dependency graph for equilibration.cpp:

Functions
void	PAPRECA::fillDelidsLocalVec (LAMMPS_NS::LAMMPS *lmp, const double &desorb_cut, std::vector< LAMMPS_NS::tagint > &delids_local, ATOM2BONDS_MAP &atomID2bonds)

bool	PAPRECA::delidsLocalVectorsAreEmpty (std::vector< LAMMPS_NS::tagint > &delids_local)

void	PAPRECA::gatherAndTrimDelIdsOnDriverProc (const int &proc_id, const int &nprocs, std::vector< LAMMPS_NS::tagint > &delids_local, std::vector< LAMMPS_NS::tagint > &delids_global)

int	PAPRECA::fillDelidsVec (LAMMPS_NS::LAMMPS *lmp, const int &proc_id, const double &desorb_cut, std::vector< LAMMPS_NS::tagint > &delids, ATOM2BONDS_MAP &atomID2bonds)

void	PAPRECA::broadcastDelidsFromMasterProc (LAMMPS_NS::LAMMPS *lmp, const int &proc_id, int &delids_num, std::vector< LAMMPS_NS::tagint > &delids)

void	PAPRECA::deleteDesorbedAtoms (LAMMPS_NS::LAMMPS *lmp, PaprecaConfig &papreca_config, int &proc_id, const int &nprocs, double &film_height, ATOM2BONDS_MAP &atomID2bonds)

void	PAPRECA::equilibrateFluidAtoms (LAMMPS_NS::LAMMPS *lmp, PaprecaConfig &papreca_config, double &time)

void	PAPRECA::equilibrate (LAMMPS_NS::LAMMPS *lmp, int &proc_id, const int &nprocs, double &time, PaprecaConfig &papreca_config, double &film_height, int &zero_rate, const int &KMC_loopid, ATOM2BONDS_MAP &atomID2bonds)

Detailed Description

Definitions for equilibration.h.

Namespaces