3.4.17. horton/grid/uniform.h – Uniform 3D grids

Functions

long index_wrap(long i, long high)

class UniformGrid

Public Functions

UniformGrid(double *_origin, double *_grid_rvecs, long *_shape, long *_pbc)

Cell *get_cell()

Cell *get_grid_cell()

void set_ranges_rcut(double *center, double rcut, long *ranges_begin, long *ranges_end)

double dist_grid_point(double *center, long *i)

void delta_grid_point(double *center, long *i)

double *get_pointer(double *array, long *i)

Public Members

double origin[3]

double grid_rvecs[9]

long shape[3]

long pbc[3]

class Range3Iterator

Public Functions

Range3Iterator(const long *ranges_begin, const long *ranges_end, const long *shape)

long get_npoint() const

void set_point(long ipoint, long *i, long *iwrap)

Private Members

const long *ranges_begin

const long *ranges_end

const long *shape

long loop_shape[3]

long npoint

class Cube3Iterator

Public Functions

Cube3Iterator(const long *begin, const long *end)

long get_npoint() const

void set_point(long ipoint, long *j)

Private Members

const long *begin

const long *end

long shape[3]

long npoint