Header for geometry calculation functions (e.g., film height, interference). More...

#include <mpi.h>
#include <vector>
#include "lammps.h"
#include "papreca_error.h"
#include "papreca_config.h"

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Functions
void	PAPRECA::calcLocalMassAndFillMassProfile (LAMMPS_NS::LAMMPS lmp, double mass_profiles, double &local_mass, const int &atom_type, double atom_xyz, const double &atom_mass, const double &bin_width, const int &bins_num)

double **	PAPRECA::initMassProfilesArr (const int &types_num, const int &bins_num)

void	PAPRECA::deleteMassProfilesArr (double **mass_profiles, const int &bins_num)

void	PAPRECA::fillMassProfilesTotalArrFromMassProfilesLocal (const int &bins_num, const int &types_num, double mass_profiles_total, double mass_profiles_local)

void	PAPRECA::getFilmHeightFromMassBinsMethod (PaprecaConfig &papreca_config, LAMMPS_NS::LAMMPS lmp, const int &proc_id, double &film_height, double mass_profiles_total, const double &local_mass, double atom_mass, const int &bins_num, const int &types_num, const double &bin_width)

void	PAPRECA::calcFilmHeight (LAMMPS_NS::LAMMPS *lmp, const int &proc_id, const int &KMC_loopid, PaprecaConfig &papreca_config, double &film_height)

const bool	PAPRECA::atomsCollide (LAMMPS_NS::LAMMPS lmp, PaprecaConfig &papreca_config, double atom1_xyz, const int &atom1_type, double *atom2_xyz, const int &atom2_type)

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