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              : !> \author JGH
      11              : ! **************************************************************************************************
      12              : MODULE fist_efield_types
      13              :    USE input_section_types,             ONLY: section_vals_get,&
      14              :                                               section_vals_get_subs_vals,&
      15              :                                               section_vals_type,&
      16              :                                               section_vals_val_get
      17              :    USE kinds,                           ONLY: dp
      18              : #include "./base/base_uses.f90"
      19              : 
      20              :    IMPLICIT NONE
      21              : 
      22              :    CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'fist_efield_types'
      23              : 
      24              : ! **************************************************************************************************
      25              :    TYPE fist_efield_type
      26              :       LOGICAL                                :: apply_field = .FALSE.
      27              :       LOGICAL                                :: displacement = .FALSE.
      28              :       REAL(KIND=dp)                          :: strength = 0.0_dp
      29              :       REAL(KIND=dp), DIMENSION(3)            :: polarisation = 0.0_dp
      30              :       REAL(KIND=dp), DIMENSION(3)            :: dfilter = 0.0_dp
      31              :    END TYPE fist_efield_type
      32              : ! **************************************************************************************************
      33              : 
      34              :    PRIVATE
      35              : 
      36              :    PUBLIC :: fist_efield_type
      37              :    PUBLIC :: read_efield_section
      38              : 
      39              : ! **************************************************************************************************
      40              : 
      41              : CONTAINS
      42              : 
      43              : ! **************************************************************************************************
      44              : !> \brief Read input section PERIODIC_EFIELD
      45              : !> \param input_section ...
      46              : !> \param efield ...
      47              : !> \par History
      48              : !> \author JGH
      49              : ! **************************************************************************************************
      50         2643 :    SUBROUTINE read_efield_section(input_section, efield)
      51              :       TYPE(section_vals_type), POINTER                   :: input_section
      52              :       TYPE(fist_efield_type), POINTER                    :: efield
      53              : 
      54         2643 :       REAL(KIND=dp), DIMENSION(:), POINTER               :: pp
      55              :       TYPE(section_vals_type), POINTER                   :: tmp_section
      56              : 
      57        23787 :       IF (.NOT. ASSOCIATED(efield)) ALLOCATE (efield)
      58              : 
      59              :       ! Read the finite field input section for periodic fields
      60         2643 :       tmp_section => section_vals_get_subs_vals(input_section, "PERIODIC_EFIELD")
      61         2643 :       CALL section_vals_get(tmp_section, explicit=efield%apply_field)
      62         2643 :       IF (efield%apply_field) THEN
      63            4 :          CALL section_vals_val_get(tmp_section, "POLARISATION", r_vals=pp)
      64           32 :          efield%polarisation(1:3) = pp(1:3)
      65            4 :          CALL section_vals_val_get(tmp_section, "D_FILTER", r_vals=pp)
      66           32 :          efield%dfilter(1:3) = pp(1:3)
      67            4 :          CALL section_vals_val_get(tmp_section, "INTENSITY", r_val=efield%strength)
      68            4 :          CALL section_vals_val_get(tmp_section, "DISPLACEMENT_FIELD", l_val=efield%displacement)
      69              :       END IF
      70              : 
      71         2643 :    END SUBROUTINE read_efield_section
      72              : 
      73              : ! **************************************************************************************************
      74              : 
      75            0 : END MODULE fist_efield_types