pw_grids.F File Reference

#include "../base/base_uses.f90"

Go to the source code of this file.

Modules
module	pw_grids
	This module defines the grid data type and some basic operations on it.

Functions/Subroutines
subroutine, public	pw_grids::pw_grid_create (pw_grid, pe_group, local)
	Initialize a PW grid with all defaults. More...
logical function, public	pw_grids::pw_grid_compare (grida, gridb)
	Check if two pw_grids are equal. More...
subroutine, public	pw_grids::get_pw_grid_info (pw_grid, id_nr, mode, vol, dvol, npts, ngpts, ngpts_cut, dr, cutoff, orthorhombic, gvectors, gsquare)
	Access to information stored in the pw_grid_type. More...
subroutine, public	pw_grids::pw_grid_setup (cell_hmat, pw_grid, grid_span, cutoff, bounds, bounds_local, npts, spherical, odd, fft_usage, ncommensurate, icommensurate, blocked, ref_grid, rs_dims, iounit)
	sets up a pw_grid More...
subroutine, public	pw_grids::pw_grid_change (cell_hmat, pw_grid)
	Recalculate the g-vectors after a change of the box. More...
subroutine, public	pw_grids::pw_grid_retain (pw_grid)
	retains the given pw grid More...
subroutine, public	pw_grids::pw_grid_release (pw_grid)
	releases the given pw grid More...

Variables
integer, parameter, public	pw_grids::do_pw_grid_blocked_false = 0
integer, parameter, public	pw_grids::do_pw_grid_blocked_true = 1
integer, parameter, public	pw_grids::do_pw_grid_blocked_free = 2