Documentation for module pw_env_types

container for various plainwaves related things

source: pw_env_types.F
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public Types:

pw_env_type
contained for different pw related things

public Subroutines/Functions:

returns the various attributes of the pw env
SUBROUTINE
pw_env_release (pw_env, kg)
releases the given pw_env (see doc/ReferenceCounting.html)
SUBROUTINE
pw_env_retain (pw_env)
retains the pw_env (see doc/ReferenceCounting.html)

public Types:

TYPE :: pw_env_type

contained for different pw related things


INTEGER
:: ref_count ...
INTEGER
:: auxbas_grid ...
DIMENSION(:), POINTER :: pw_pools pools for multigrids
POINTER :: xc_pw_pool the pool used for xc calculation on grid (might be the same as the finest, or finer still).
POINTER :: vdw_pw_pool the pool used for vdw-nl calculation on grid (might be the same or a grid with a new cutoff
DIMENSION(:), POINTER :: rs_descs descriptors for the realspace grids
DIMENSION(:), POINTER :: rs_grids the realspace grids
TYPE(lgrid_type),
POINTER :: lgrid scratch space for OpenMP threads rs_grid operations
POINTER :: gridlevel_info gaussian gridlevel info
DIMENSION(:), POINTER :: cube_info info on cube and max sphere size for multigrids
POINTER :: poisson_env ...
POINTER :: interp_section ...
REAL(dp),
DIMENSION(3,3) :: cell_hmat = -1.0_DP ...

SUBROUTINEpw_env_get(pw_env, pw_pools, cube_info, gridlevel_info, auxbas_pw_pool, auxbas_grid, auxbas_rs_desc, auxbas_rs_grid, rs_descs, rs_grids, lgrid, xc_pw_pool, vdw_pw_pool, poisson_env, interp_section)

returns the various attributes of the pw env

Arguments:
POINTER
:: pw_env the einvironment you want info about
OPTIONAL, POINTER
:: pw_pools(:) ...
OPTIONAL, POINTER
:: cube_info(:) ...
OPTIONAL, POINTER
:: gridlevel_info ...
OPTIONAL, POINTER
:: auxbas_pw_pool ...
INTEGER,
INTENT(out),
OPTIONAL
:: auxbas_grid ...
OPTIONAL, POINTER
:: auxbas_rs_desc ...
OPTIONAL, POINTER
:: auxbas_rs_grid ...
OPTIONAL, POINTER
:: rs_descs(:) ...
OPTIONAL, POINTER
:: rs_grids(:) ...
TYPE(lgrid_type),
OPTIONAL, POINTER
:: lgrid ...
OPTIONAL, POINTER
:: xc_pw_pool ...
OPTIONAL, POINTER
:: vdw_pw_pool ...
OPTIONAL, POINTER
:: poisson_env ...
OPTIONAL, POINTER
:: interp_section ...

SUBROUTINEpw_env_release(pw_env, kg)

releases the given pw_env (see doc/ReferenceCounting.html)

Arguments:
POINTER
:: pw_env the pw_env to release
LOGICAL,
OPTIONAL
:: kg ...

SUBROUTINEpw_env_retain(pw_env)

retains the pw_env (see doc/ReferenceCounting.html)

Arguments:
POINTER
:: pw_env the pw_env to retain