Line data    Source code

       1              : !--------------------------------------------------------------------------------------------------!
       2              : !   CP2K: A general program to perform molecular dynamics simulations                              !
       3              : !   Copyright 2000-2025 CP2K developers group <https://cp2k.org>                                   !
       4              : !                                                                                                  !
       5              : !   SPDX-License-Identifier: GPL-2.0-or-later                                                      !
       6              : !--------------------------------------------------------------------------------------------------!
       7              : 
       8              : ! **************************************************************************************************
       9              : !> \brief Definition and initialisation of the ps_wavelet data type.
      10              : !> \author Florian Schiffmann (09.2007,fschiff)
      11              : ! **************************************************************************************************
      12              : MODULE ps_wavelet_types
      13              : 
      14              :    USE kinds,                           ONLY: dp
      15              : #include "../base/base_uses.f90"
      16              : 
      17              :    IMPLICIT NONE
      18              : 
      19              :    PRIVATE
      20              : 
      21              :    CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'ps_wavelet_types'
      22              : 
      23              :    INTEGER, PARAMETER, PUBLIC               :: WAVELET3D = 1400, &
      24              :                                                WAVELET2D = 1401, &
      25              :                                                WAVELET1D = 1402, &
      26              :                                                WAVELET0D = 1403
      27              : 
      28              :    PUBLIC :: ps_wavelet_type, &
      29              :              ps_wavelet_release
      30              : 
      31              : ! **************************************************************************************************
      32              : !> \par History
      33              : !>      09.2007 created [Florian Schiffmann]
      34              : !> \author fschiff
      35              : ! **************************************************************************************************
      36              :    TYPE ps_wavelet_type
      37              :       CHARACTER(LEN=1)                                  :: geocode = " "
      38              :       CHARACTER(LEN=1)                                  :: datacode = " "
      39              :       INTEGER                                           :: itype_scf = 0
      40              :       INTEGER                                           :: method = WAVELET3D, special_dimension = 0
      41              :       REAL(kind=dp), POINTER, DIMENSION(:)             :: karray => NULL()
      42              :       REAL(KIND=dp), DIMENSION(:, :, :), POINTER    :: rho_z_sliced => NULL()
      43              :       INTEGER, DIMENSION(3)                              :: PS_grid = 0
      44              :    END TYPE ps_wavelet_type
      45              : 
      46              : CONTAINS
      47              : 
      48              : ! **************************************************************************************************
      49              : !> \brief ...
      50              : !> \param wavelet ...
      51              : ! **************************************************************************************************
      52        21888 :    SUBROUTINE ps_wavelet_release(wavelet)
      53              : 
      54              :       TYPE(ps_wavelet_type), POINTER                     :: wavelet
      55              : 
      56        21888 :       IF (ASSOCIATED(wavelet)) THEN
      57          836 :          IF (ASSOCIATED(wavelet%karray)) &
      58          836 :             DEALLOCATE (wavelet%karray)
      59          836 :          IF (ASSOCIATED(wavelet%rho_z_sliced)) &
      60          836 :             DEALLOCATE (wavelet%rho_z_sliced)
      61          836 :          DEALLOCATE (wavelet)
      62              :       END IF
      63        21888 :    END SUBROUTINE ps_wavelet_release
      64              : 
      65            0 : END MODULE ps_wavelet_types