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

Functions

long index_wrap(long i, long high)

class

Public Functions

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

Cell *UniformGrid::get_cell()

Cell *UniformGrid::get_grid_cell()

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

double UniformGrid::dist_grid_point(double *center, long *i)

void UniformGrid::delta_grid_point(double *center, long *i)

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

Public Members

double UniformGrid::origin[3]

double UniformGrid::grid_rvecs[9]

long UniformGrid::shape[3]

long UniformGrid::pbc[3]

class

Public Functions

UniformGridWindow::UniformGridWindow(UniformGrid *ugrid, long *_begin, long *_end)

double *UniformGridWindow::get_pointer(double *array, long *j)

void UniformGridWindow::extend(double *cell, double *local)

void UniformGridWindow::wrap(double *local, double *cell)

Public Members

long UniformGridWindow::begin[3]

long UniformGridWindow::end[3]

Private Members

UniformGrid *UniformGridWindow::ugrid

class

Public Functions

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

long Range3Iterator::get_npoint() const

void Range3Iterator::set_point(long ipoint, long *i, long *iwrap)

Private Members

const long *Range3Iterator::ranges_begin

const long *Range3Iterator::ranges_end

const long *Range3Iterator::shape

long Range3Iterator::loop_shape[3]

long Range3Iterator::npoint

class

Public Functions

Block3Iterator::Block3Iterator(const long *begin, const long *end, const long *shape)

long Block3Iterator::get_nblock() const

void Block3Iterator::copy_block_begin(long *output)

void Block3Iterator::copy_block_end(long *output)

void Block3Iterator::set_block(long iblock, long *b)

void Block3Iterator::set_cube_ranges(long *b, long *cube_begin, long *cube_end)

void Block3Iterator::translate(long *b, long *jwrap, long *j)

Private Members

const long *Block3Iterator::begin

const long *Block3Iterator::end

const long *Block3Iterator::shape

long Block3Iterator::block_begin[3]

long Block3Iterator::block_end[3]

long Block3Iterator::block_shape[3]

long Block3Iterator::nblock

class

Public Functions

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

long Cube3Iterator::get_npoint() const

void Cube3Iterator::set_point(long ipoint, long *j)

Private Members

const long *Cube3Iterator::begin

const long *Cube3Iterator::end

long Cube3Iterator::shape[3]

long Cube3Iterator::npoint