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1 : !--------------------------------------------------------------------------------------------------! 2 : ! CP2K: A general program to perform molecular dynamics simulations ! 3 : ! Copyright 2000-2024 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 19920 : SUBROUTINE ps_wavelet_release(wavelet) 53 : 54 : TYPE(ps_wavelet_type), POINTER :: wavelet 55 : 56 19920 : IF (ASSOCIATED(wavelet)) THEN 57 790 : IF (ASSOCIATED(wavelet%karray)) & 58 790 : DEALLOCATE (wavelet%karray) 59 790 : IF (ASSOCIATED(wavelet%rho_z_sliced)) & 60 790 : DEALLOCATE (wavelet%rho_z_sliced) 61 790 : DEALLOCATE (wavelet) 62 : END IF 63 19920 : END SUBROUTINE ps_wavelet_release 64 : 65 0 : END MODULE ps_wavelet_types