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              : !> \par History
      10              : !>      none
      11              : ! **************************************************************************************************
      12              : MODULE structure_factor_types
      13              : 
      14              :    USE kinds,                           ONLY: dp
      15              : #include "../base/base_uses.f90"
      16              : 
      17              :    IMPLICIT NONE
      18              : 
      19              :    PRIVATE
      20              :    PUBLIC :: structure_factor_type
      21              : 
      22              : ! **************************************************************************************************
      23              :    TYPE structure_factor_type
      24              :       COMPLEX(KIND=dp), DIMENSION(:, :), POINTER :: ex => NULL(), ey => NULL(), ez => NULL()
      25              :       COMPLEX(KIND=dp), DIMENSION(:, :), POINTER :: shell_ex => NULL(), shell_ey => NULL(), shell_ez => NULL()
      26              :       COMPLEX(KIND=dp), DIMENSION(:, :), POINTER :: core_ex => NULL(), core_ey => NULL(), core_ez => NULL()
      27              :       INTEGER, DIMENSION(:, :), POINTER :: centre => NULL(), core_centre => NULL(), shell_centre => NULL()
      28              :       REAL(KIND=dp), DIMENSION(:, :), POINTER :: delta => NULL(), core_delta => NULL(), shell_delta => NULL()
      29              :       INTEGER :: lb(3) = -1
      30              :    END TYPE structure_factor_type
      31              : 
      32            0 : END MODULE structure_factor_types
      33              :