Documentation for module paw_proj_set_types

...

source: paw_proj_set_types.F
Loading...

public Types:

paw_proj_set_type
...

public Subroutines/Functions:

Allocate projector type for GAPW
Deallocate a projector-type set data set.
Get informations about a paw projectors set.
Initialize the projector-type set data set.
Set informations about a paw projectors set.

public Types:

TYPE :: paw_proj_set_type

...


INTEGER
:: maxl ...
INTEGER
:: ncgauprj ...
INTEGER
:: nsgauprj ...
INTEGER,
DIMENSION(:), POINTER :: nprj ...
INTEGER,
DIMENSION(:), POINTER :: lx ...
INTEGER,
DIMENSION(:), POINTER :: ly ...
INTEGER,
DIMENSION(:), POINTER :: lz ...
INTEGER,
DIMENSION(:), POINTER :: ll ...
INTEGER,
DIMENSION(:), POINTER :: m ...
INTEGER,
DIMENSION(:), POINTER :: first_prj ...
INTEGER,
DIMENSION(:), POINTER :: last_prj ...
INTEGER,
DIMENSION(:), POINTER :: first_prjs ...
REAL(dp)
:: rcprj ...
REAL(dp),
DIMENSION(:), POINTER :: zisomin ...
REAL(dp),
DIMENSION(:), POINTER :: zprjisomin ...
REAL(dp),
DIMENSION(:,:), POINTER :: zetprj ...
REAL(dp),
DIMENSION(:,:), POINTER :: rzetprj ...
REAL(dp),
DIMENSION(:,:), POINTER :: cprj ...
REAL(dp),
DIMENSION(:,:), POINTER :: cprj_s ...
REAL(dp),
DIMENSION(:,:), POINTER :: csprj ...
REAL(dp),
DIMENSION(:,:), POINTER :: local_oce_cphi_h ...
REAL(dp),
DIMENSION(:,:), POINTER :: local_oce_cphi_s ...
REAL(dp),
DIMENSION(:,:), POINTER :: local_oce_sphi_h ...
REAL(dp),
DIMENSION(:,:), POINTER :: local_oce_sphi_s ...
REAL(dp),
DIMENSION(:,:), POINTER :: sphi_h ...
REAL(dp),
DIMENSION(:,:), POINTER :: sphi_s ...
REAL(dp),
DIMENSION(:,:,:,:), POINTER :: gccprj ...
LOGICAL,
DIMENSION(:,:), POINTER :: isoprj ...
INTEGER
:: nsatbas ...
INTEGER
:: nsotot ...
INTEGER,
DIMENSION(:), POINTER :: o2nindex ...
INTEGER,
DIMENSION(:), POINTER :: n2oindex ...

SUBROUTINEallocate_paw_proj_set(paw_proj_set)

Allocate projector type for GAPW

Arguments:
POINTER
:: paw_proj_set ...

SUBROUTINEdeallocate_paw_proj_set(paw_proj_set)

Deallocate a projector-type set data set.

Arguments:
POINTER
:: paw_proj_set ...

SUBROUTINEget_paw_proj_set(paw_proj_set, cprj, cprj_s, csprj, first_prj, first_prjs, last_prj, local_oce_sphi_h, local_oce_sphi_s, maxl, ncgauprj, nsgauprj, nsatbas, nsotot, nprj, o2nindex, n2oindex, rcprj, rzetprj, zisomin, zetprj)

Get informations about a paw projectors set.

Arguments:
POINTER
:: paw_proj_set ...
REAL(dp),
OPTIONAL, POINTER
:: cprj(:,:) ...
REAL(dp),
OPTIONAL, POINTER
:: cprj_s(:,:) ...
REAL(dp),
OPTIONAL, POINTER
:: csprj(:,:) ...
INTEGER,
OPTIONAL, POINTER
:: first_prj(:) ...
INTEGER,
OPTIONAL, POINTER
:: first_prjs(:) ...
INTEGER,
OPTIONAL, POINTER
:: last_prj(:) ...
REAL(dp),
OPTIONAL, POINTER
:: local_oce_sphi_h(:,:) ...
REAL(dp),
OPTIONAL, POINTER
:: local_oce_sphi_s(:,:) ...
INTEGER,
INTENT(out),
OPTIONAL
:: maxl ...
INTEGER,
INTENT(out),
OPTIONAL
:: ncgauprj ...
INTEGER,
INTENT(out),
OPTIONAL
:: nsgauprj ...
INTEGER,
INTENT(out),
OPTIONAL
:: nsatbas ...
INTEGER,
INTENT(out),
OPTIONAL
:: nsotot ...
INTEGER,
OPTIONAL, POINTER
:: nprj(:) ...
INTEGER,
OPTIONAL, POINTER
:: o2nindex(:) ...
INTEGER,
OPTIONAL, POINTER
:: n2oindex(:) ...
REAL(dp),
INTENT(out),
OPTIONAL
:: rcprj ...
REAL(dp),
OPTIONAL, POINTER
:: rzetprj(:,:) ...
REAL(dp),
OPTIONAL, POINTER
:: zisomin(:) ...
REAL(dp),
OPTIONAL, POINTER
:: zetprj(:,:) ...

SUBROUTINEprojectors(paw_proj, orb_basis, rc, qs_control, max_rad_local_type, force_env_section)

Initialize the projector-type set data set.

Arguments:
POINTER
:: paw_proj ...
POINTER
:: orb_basis ...
REAL(dp)
:: rc ...
INTENT(in)
:: qs_control ...
REAL(dp),
INTENT(in)
:: max_rad_local_type ...
POINTER
:: force_env_section ...

SUBROUTINEset_paw_proj_set(paw_proj_set, rzetprj, rcprj)

Set informations about a paw projectors set.

Arguments:
POINTER
:: paw_proj_set ...
REAL(dp),
OPTIONAL, POINTER
:: rzetprj(:,:) ...
REAL(dp),
INTENT(in),
OPTIONAL
:: rcprj ...