LCOV - code coverage report
Current view: top level - src - input_cp2k_atprop.F (source / functions) Coverage Total Hit
Test: CP2K Regtests (git:42dac4a) Lines: 100.0 % 8 8
Test Date: 2025-07-25 12:55:17 Functions: 100.0 % 1 1

            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 input section for atomic properties
      10              : !> \par History
      11              : !>      07.2011 created
      12              : !> \author JHU
      13              : ! **************************************************************************************************
      14              : MODULE input_cp2k_atprop
      15              :    USE bibliography,                    ONLY: Kikuchi2009
      16              :    USE input_keyword_types,             ONLY: keyword_create,&
      17              :                                               keyword_release,&
      18              :                                               keyword_type
      19              :    USE input_section_types,             ONLY: section_add_keyword,&
      20              :                                               section_create,&
      21              :                                               section_type
      22              : #include "./base/base_uses.f90"
      23              : 
      24              :    IMPLICIT NONE
      25              :    PRIVATE
      26              : 
      27              :    LOGICAL, PRIVATE, PARAMETER :: debug_this_module = .TRUE.
      28              :    CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'input_cp2k_atprop'
      29              : 
      30              :    PUBLIC :: create_atprop_section
      31              : 
      32              : CONTAINS
      33              : 
      34              : ! **************************************************************************************************
      35              : !> \brief Creates the ATOMIC section
      36              : !> \param section the section to create
      37              : !> \author JHU
      38              : ! **************************************************************************************************
      39         9238 :    SUBROUTINE create_atprop_section(section)
      40              :       TYPE(section_type), POINTER                        :: section
      41              : 
      42              :       TYPE(keyword_type), POINTER                        :: keyword
      43              : 
      44         9238 :       CPASSERT(.NOT. ASSOCIATED(section))
      45              :       CALL section_create(section, __LOCATION__, name="ATOMIC", &
      46              :                           description="Controls the calculation of atomic properties. "// &
      47              :                           "Printing is controlled by FORCE_EVAL / PRINT / PROGRAM_RUN_INFO", &
      48              :                           repeats=.FALSE., &
      49        18476 :                           citations=(/Kikuchi2009/))
      50              : 
      51         9238 :       NULLIFY (keyword)
      52              : 
      53              :       CALL keyword_create(keyword, __LOCATION__, name="ENERGY", &
      54              :                           description="Calculate atomic energies ", &
      55              :                           usage="ENERGY {logical}", &
      56              :                           repeats=.FALSE., &
      57              :                           n_var=1, &
      58              :                           default_l_val=.FALSE., &
      59         9238 :                           lone_keyword_l_val=.TRUE.)
      60         9238 :       CALL section_add_keyword(section, keyword)
      61         9238 :       CALL keyword_release(keyword)
      62              : 
      63         9238 :    END SUBROUTINE create_atprop_section
      64              : 
      65              : END MODULE input_cp2k_atprop
        

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