PAPRECA hybrid off-lattice kMC/MD simulator
2.0.0 (17 September 2024)
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Definitions for geometry_calc.h. More...
#include "geometry_calc.h"
Namespaces | |
PAPRECA | |
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) |
Definitions for geometry_calc.h.