(git:c5411e0)
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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 |
contained for different pw related things
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! |
Definition at line 70 of file pw_env_types.F.
integer pw_env_types::pw_env_type::ref_count = -1 |
Definition at line 71 of file pw_env_types.F.
integer pw_env_types::pw_env_type::auxbas_grid = 0 |
Definition at line 72 of file pw_env_types.F.
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.
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.
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.
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.
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.
type(gridlevel_info_type), pointer pw_env_types::pw_env_type::gridlevel_info => NULL() |
Definition at line 80 of file pw_env_types.F.
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.
type(pw_poisson_type), pointer pw_env_types::pw_env_type::poisson_env => NULL() |
Definition at line 82 of file pw_env_types.F.
type(section_vals_type), pointer pw_env_types::pw_env_type::interp_section => NULL() |
Definition at line 83 of file pw_env_types.F.
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.