ps_wavelet_types.F

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!--------------------------------------------------------------------------------------------------!
!   CP2K: A general program to perform molecular dynamics simulations                              !
!   Copyright 2000-2024 CP2K developers group <https://cp2k.org>                                   !
!                                                                                                  !
!   SPDX-License-Identifier: GPL-2.0-or-later                                                      !
!--------------------------------------------------------------------------------------------------!
 
! **************************************************************************************************
!> \brief Definition and initialisation of the ps_wavelet data type.
!> \author Florian Schiffmann (09.2007,fschiff)
! **************************************************************************************************
MODULE ps_wavelet_types
 
   USE kinds,                           ONLY: dp
#include "../base/base_uses.f90"
 
   IMPLICIT NONE
 
   PRIVATE
 
   CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'ps_wavelet_types'
 
   INTEGER, PARAMETER, PUBLIC               :: wavelet3d = 1400, &
                                               wavelet2d = 1401, &
                                               wavelet1d = 1402, &
                                               wavelet0d = 1403
 
   PUBLIC :: ps_wavelet_type, &
             ps_wavelet_release
 
! **************************************************************************************************
!> \par History
!>      09.2007 created [Florian Schiffmann]
!> \author fschiff
! **************************************************************************************************
   TYPE ps_wavelet_type
      CHARACTER(LEN=1)                                  :: geocode = " "
      CHARACTER(LEN=1)                                  :: datacode = " "
      INTEGER                                           :: itype_scf = 0
      INTEGER                                           :: method = wavelet3d, special_dimension = 0
      REAL(kind=dp), POINTER, DIMENSION(:)             :: karray => null()
      REAL(kind=dp), DIMENSION(:, :, :), POINTER    :: rho_z_sliced => null()
      INTEGER, DIMENSION(3)                              :: ps_grid = 0
   END TYPE ps_wavelet_type
 
CONTAINS
 
! **************************************************************************************************
!> \brief ...
!> \param wavelet ...
! **************************************************************************************************
   SUBROUTINE ps_wavelet_release(wavelet)
 
      TYPE(ps_wavelet_type), POINTER                     :: wavelet
 
      IF (ASSOCIATED(wavelet)) THEN
         IF (ASSOCIATED(wavelet%karray)) &
            DEALLOCATE (wavelet%karray)
         IF (ASSOCIATED(wavelet%rho_z_sliced)) &
            DEALLOCATE (wavelet%rho_z_sliced)
         DEALLOCATE (wavelet)
      END IF
   END SUBROUTINE ps_wavelet_release
 
END MODULE ps_wavelet_types