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