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pw_grids::pw_grid_create Interface Reference

Public Member Functions

subroutine pw_grid_create_local (pw_grid, bounds)
 Initialize a PW grid with bounds only (used by some routines)
 
subroutine pw_grid_create_extended (pw_grid, mp_comm, cell_hmat, grid_span, cutoff, bounds, bounds_local, npts, spherical, odd, fft_usage, ncommensurate, icommensurate, blocked, ref_grid, rs_dims, iounit)
 sets up a pw_grid
 

Detailed Description

Definition at line 81 of file pw_grids.F.

Member Function/Subroutine Documentation

◆ pw_grid_create_local()

subroutine pw_grids::pw_grid_create::pw_grid_create_local ( type(pw_grid_type), pointer  pw_grid,
integer, dimension(2, 3), intent(in)  bounds 
)

Initialize a PW grid with bounds only (used by some routines)

Parameters
pw_grid...
bounds...
History
JGH (21-Feb-2003) : initialize pw_gridreference
Author
JGH (7-Feb-2001) & fawzi

Definition at line 96 of file pw_grids.F.

◆ pw_grid_create_extended()

subroutine pw_grids::pw_grid_create::pw_grid_create_extended ( type(pw_grid_type), pointer  pw_grid,
class(mp_comm_type), intent(in)  mp_comm,
real(kind=dp), dimension(3, 3), intent(in)  cell_hmat,
integer, intent(in), optional  grid_span,
real(kind=dp), intent(in), optional  cutoff,
integer, dimension(2, 3), intent(in), optional  bounds,
integer, dimension(2, 3), intent(in), optional  bounds_local,
integer, dimension(3), intent(in), optional  npts,
logical, intent(in), optional  spherical,
logical, intent(in), optional  odd,
logical, intent(in), optional  fft_usage,
integer, intent(in), optional  ncommensurate,
integer, intent(in), optional  icommensurate,
integer, intent(in), optional  blocked,
type(pw_grid_type), intent(in), optional  ref_grid,
integer, dimension(2), intent(in), optional  rs_dims,
integer, intent(in), optional  iounit 
)

sets up a pw_grid

Parameters
pw_grid...
mp_comm...
cell_hmat...
grid_span...
cutoff...
bounds...
bounds_local...
npts...
spherical...
odd...
fft_usage...
ncommensurate...
icommensurate...
blocked...
ref_grid...
rs_dims...
iounit...
Author
JGH (21-Dec-2007)
Note
this is the function that should be used in the future

Definition at line 285 of file pw_grids.F.

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The documentation for this interface was generated from the following file: