structure_factor_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                                                      !
!--------------------------------------------------------------------------------------------------!
 
! **************************************************************************************************
!> \par History
!>      none
! **************************************************************************************************
MODULE structure_factor_types
 
   USE kinds,                           ONLY: dp
#include "../base/base_uses.f90"
 
   IMPLICIT NONE
 
   PRIVATE
   PUBLIC :: structure_factor_type
 
! **************************************************************************************************
   TYPE structure_factor_type
      COMPLEX(KIND=dp), DIMENSION(:, :), POINTER :: ex => null(), ey => null(), ez => null()
      COMPLEX(KIND=dp), DIMENSION(:, :), POINTER :: shell_ex => null(), shell_ey => null(), shell_ez => null()
      COMPLEX(KIND=dp), DIMENSION(:, :), POINTER :: core_ex => null(), core_ey => null(), core_ez => null()
      INTEGER, DIMENSION(:, :), POINTER :: centre => null(), core_centre => null(), shell_centre => null()
      REAL(KIND=dp), DIMENSION(:, :), POINTER :: delta => null(), core_delta => null(), shell_delta => null()
      INTEGER :: lb(3) = -1
   END TYPE structure_factor_type
 
END MODULE structure_factor_types