contained for different pw related things More...

Data Fields
integer	ref_count = -1

integer	auxbas_grid = 0

type(pw_pool_p_type), dimension(:), pointer	pw_pools => NULL()

type(pw_pool_type), pointer	xc_pw_pool => NULL()

type(pw_pool_type), pointer	vdw_pw_pool => NULL()

type(realspace_grid_desc_p_type), dimension(:), pointer	rs_descs => NULL()

type(realspace_grid_type), dimension(:), pointer	rs_grids => NULL()

type(gridlevel_info_type), pointer	gridlevel_info => NULL()

type(cube_info_type), dimension(:), pointer	cube_info => NULL()

type(pw_poisson_type), pointer	poisson_env => NULL()

type(section_vals_type), pointer	interp_section => NULL()

real(kind=dp), dimension(3, 3)	cell_hmat = -1.0_dp

Detailed Description

contained for different pw related things

Parameters

pw_pools	pools for multigrids
rs_descs	descriptors for the realspace grids
rs_grids	the realspace grids
xc_pw_pool	the pool used for xc calculation on grid (might be the same as the finest, or finer still).
vdw_pw_pool	the pool used for vdw-nl calculation on grid (might be the same or a grid with a new cutoff
gridlevel_info	gaussian gridlevel info
cube_info	info on cube and max sphere size for multigrids
aux_bas	which multigrid is the auxiliar basis readonly attributes
auxbas_pw_pool	a pool that allocates grids in the auxiliary basis
auxbas_rs_desc	real space grid in the auxiliary basis, be careful in parallel nsmax is chosen with multigrid in mind!

Note: be careful in parallel nsmax for the rs_grids is chosen with multigrid in mind! (well not as of this writing but...)

History: 10.2002 created [fawzi] 04.2003 added rs grid pools [fawzi]

Author: Fawzi Mohamed

Definition at line 70 of file pw_env_types.F.

Field Documentation

◆ ref_count

integer pw_env_types::pw_env_type::ref_count = -1

Definition at line 71 of file pw_env_types.F.

◆ auxbas_grid

integer pw_env_types::pw_env_type::auxbas_grid = 0

Definition at line 72 of file pw_env_types.F.

◆ pw_pools

type(pw_pool_p_type), dimension(:), pointer pw_env_types::pw_env_type::pw_pools => NULL()

Definition at line 73 of file pw_env_types.F.

◆ xc_pw_pool

type(pw_pool_type), pointer pw_env_types::pw_env_type::xc_pw_pool => NULL()

Definition at line 74 of file pw_env_types.F.

◆ vdw_pw_pool

type(pw_pool_type), pointer pw_env_types::pw_env_type::vdw_pw_pool => NULL()

Definition at line 75 of file pw_env_types.F.

◆ rs_descs

type(realspace_grid_desc_p_type), dimension(:), pointer pw_env_types::pw_env_type::rs_descs => NULL()

Definition at line 76 of file pw_env_types.F.

◆ rs_grids

type(realspace_grid_type), dimension(:), pointer pw_env_types::pw_env_type::rs_grids => NULL()

Definition at line 78 of file pw_env_types.F.

◆ gridlevel_info

type(gridlevel_info_type), pointer pw_env_types::pw_env_type::gridlevel_info => NULL()

Definition at line 80 of file pw_env_types.F.

◆ cube_info

type(cube_info_type), dimension(:), pointer pw_env_types::pw_env_type::cube_info => NULL()

Definition at line 81 of file pw_env_types.F.

◆ poisson_env

type(pw_poisson_type), pointer pw_env_types::pw_env_type::poisson_env => NULL()

Definition at line 82 of file pw_env_types.F.

◆ interp_section

type(section_vals_type), pointer pw_env_types::pw_env_type::interp_section => NULL()

Definition at line 83 of file pw_env_types.F.

◆ cell_hmat

real(kind=dp), dimension(3, 3) pw_env_types::pw_env_type::cell_hmat = -1.0_dp

Definition at line 85 of file pw_env_types.F.

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

pw_env/pw_env_types.F

Data Fields