Line data    Source code

       1              : !!****m* ABINIT/mod_prc_memory
       2              : !! NAME
       3              : !! mod_prc_memory
       4              : !!
       5              : !! FUNCTION
       6              : !! This modules defines arrays and data used for the real-space kerker
       7              : !! preconditionning of potential residuals.
       8              : !!
       9              : !! COPYRIGHT
      10              : !! Copyright (C) 2009-2026 ABINIT group (PMA).
      11              : !! This file is distributed under the terms of the
      12              : !! GNU General Public License, see ~abinit/COPYING
      13              : !! or http://www.gnu.org/copyleft/gpl.txt .
      14              : !! For the initials of contributors, see ~abinit/doc/developers/contributors.txt .
      15              : !!
      16              : !! NOTES
      17              : !!  FIXME: this is highly non-kosher. Should be a datastructure which is declared dynamically
      18              : !!  MG: I completely agree! We don't use modules to share data and I don't see why we should
      19              : !!  break the rule here.
      20              : !!
      21              : !! SOURCE
      22              : 
      23              : #if defined HAVE_CONFIG_H
      24              : #include "config.h"
      25              : #endif
      26              : 
      27              : #include "abi_common.h"
      28              : 
      29              : module mod_prc_memory
      30              : 
      31              :  use defs_basis
      32              :  use m_abicore
      33              : 
      34              :  implicit none
      35              : 
      36              :  private
      37              : 
      38              :  real(dp),public,save,allocatable :: rdiemac(:)
      39              : 
      40              :  integer,save,public :: cycle=0 ! This is great! A global variable with the same name as a Fortran Statement!
      41              :  real(dp),save,public :: energy_min
      42              : 
      43              : public :: prc_mem_init
      44              : public :: prc_mem_free
      45              : 
      46              : ! *********************************************************************
      47              : 
      48              :  contains
      49              : !!***
      50              : 
      51              : !!****f* ABINIT/prc_mem_init
      52              : !! NAME
      53              : !! prc_mem_init
      54              : !!
      55              : !! FUNCTION
      56              : !! This subroutine allocates the module's main component
      57              : !!
      58              : !! SOURCE
      59              : 
      60            7 : subroutine prc_mem_init(nfft)
      61              : 
      62              : !Arguments -------------------------------
      63              : integer, intent(in) :: nfft
      64              : !Local variables -------------------------
      65              : ! *********************************************************************
      66              : 
      67            7 :    if (.not. allocated(rdiemac))  then
      68            3 :      ABI_MALLOC(rdiemac,(nfft))
      69              :    end if
      70            7 :    if(nfft.ne.size(rdiemac)) then ! This steps should be done over "istep" instead
      71            0 :      ABI_FREE(rdiemac)
      72            0 :      ABI_MALLOC(rdiemac,(nfft))
      73            0 :      cycle=0
      74              :    end if
      75              : 
      76            7 :  end subroutine prc_mem_init
      77              : !!***
      78              : 
      79              : !!****f* ABINIT/prc_mem_free
      80              : !! NAME
      81              : !! prc_mem_free
      82              : !!
      83              : !! FUNCTION
      84              : !! This subroutine deallocates the module's main component
      85              : !!
      86              : !! SOURCE
      87              : 
      88         6918 : subroutine prc_mem_free()
      89              : 
      90              : ! *********************************************************************
      91              : 
      92         6918 :   ABI_SFREE(rdiemac)
      93              : 
      94         6918 : end subroutine prc_mem_free
      95              : !!***
      96              : 
      97              : end module mod_prc_memory
      98              : !!***