LCOV - code coverage report
Current view: top level - src - input_restart_rng.F (source / functions) Coverage Total Hit
Test: CP2K Regtests (git:42dac4a) Lines: 97.1 % 35 34
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              : MODULE input_restart_rng
       9              :    USE cp_linked_list_input,            ONLY: cp_sll_val_create,&
      10              :                                               cp_sll_val_get_length,&
      11              :                                               cp_sll_val_type
      12              :    USE input_section_types,             ONLY: section_get_keyword_index,&
      13              :                                               section_type,&
      14              :                                               section_vals_add_values,&
      15              :                                               section_vals_type
      16              :    USE input_val_types,                 ONLY: val_create,&
      17              :                                               val_release,&
      18              :                                               val_type
      19              :    USE parallel_rng_types,              ONLY: rng_record_length
      20              :    USE string_utilities,                ONLY: ascii_to_string
      21              : #include "./base/base_uses.f90"
      22              : 
      23              :    IMPLICIT NONE
      24              : 
      25              :    PRIVATE
      26              : 
      27              :    CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'input_restart_rng'
      28              : 
      29              :    PUBLIC :: section_rng_val_set
      30              : 
      31              : CONTAINS
      32              : 
      33              : ! **************************************************************************************************
      34              : !> \brief routine to dump rngs.. fast implementation
      35              : !> \param rng_section ...
      36              : !> \param nsize ...
      37              : !> \param ascii ...
      38              : !> \par History
      39              : !>      02.2006 created [teo]
      40              : !>      - string dump (again) instead of integer ASCII code (07.03.06,MK)
      41              : !> \author Teodoro Laino
      42              : ! **************************************************************************************************
      43          596 :    SUBROUTINE section_rng_val_set(rng_section, nsize, ascii)
      44              : 
      45              :       TYPE(section_vals_type), POINTER                   :: rng_section
      46              :       INTEGER, INTENT(IN)                                :: nsize
      47              :       INTEGER, DIMENSION(:, :)                           :: ascii
      48              : 
      49              :       CHARACTER(LEN=rng_record_length)                   :: rng_record
      50              :       INTEGER                                            :: ik, irk, Nlist
      51              :       TYPE(cp_sll_val_type), POINTER                     :: new_pos, vals
      52              :       TYPE(section_type), POINTER                        :: section
      53              :       TYPE(val_type), POINTER                            :: my_val, old_val
      54              : 
      55          596 :       CPASSERT(ASSOCIATED(rng_section))
      56          596 :       CPASSERT(rng_section%ref_count > 0)
      57              : 
      58          596 :       NULLIFY (my_val, old_val, section, vals)
      59              : 
      60          596 :       section => rng_section%section
      61              : 
      62          596 :       ik = section_get_keyword_index(section, "_DEFAULT_KEYWORD_")
      63              : 
      64          596 :       IF (ik == -2) &
      65              :          CALL cp_abort(__LOCATION__, &
      66              :                        "section "//TRIM(section%name)//" does not contain keyword "// &
      67            0 :                        "_DEFAULT_KEYWORD_")
      68              : 
      69          180 :       DO
      70          776 :          IF (SIZE(rng_section%values, 2) == 1) EXIT
      71          180 :          CALL section_vals_add_values(rng_section)
      72              :       END DO
      73              : 
      74          596 :       vals => rng_section%values(ik, 1)%list
      75          596 :       Nlist = 0
      76              : 
      77          596 :       IF (ASSOCIATED(vals)) THEN
      78          416 :          Nlist = cp_sll_val_get_length(vals)
      79              :       END IF
      80              : 
      81        32112 :       DO irk = 1, nsize
      82              : 
      83        31516 :          CALL ascii_to_string(ascii(:, irk), rng_record)
      84        31516 :          CALL val_create(val=my_val, lc_val=rng_record)
      85              : 
      86        31516 :          IF (Nlist /= 0) THEN
      87        19934 :             IF (irk == 1) THEN
      88          416 :                new_pos => vals
      89              :             ELSE
      90        19518 :                new_pos => new_pos%rest
      91              :             END IF
      92        19934 :             old_val => new_pos%first_el
      93        19934 :             CALL val_release(old_val)
      94        19934 :             new_pos%first_el => my_val
      95              :          ELSE
      96        11582 :             IF (irk == 1) THEN
      97          180 :                NULLIFY (new_pos)
      98          180 :                CALL cp_sll_val_create(new_pos, first_el=my_val)
      99          180 :                vals => new_pos
     100              :             ELSE
     101        11402 :                NULLIFY (new_pos%rest)
     102        11402 :                CALL cp_sll_val_create(new_pos%rest, first_el=my_val)
     103        11402 :                new_pos => new_pos%rest
     104              :             END IF
     105              :          END IF
     106              : 
     107        32112 :          NULLIFY (my_val)
     108              : 
     109              :       END DO
     110              : 
     111          596 :       rng_section%values(ik, 1)%list => vals
     112              : 
     113          596 :    END SUBROUTINE section_rng_val_set
     114              : 
     115              : END MODULE input_restart_rng
        

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