mirror of https://gitlab.com/QEF/q-e.git
38 lines
1.0 KiB
Fortran
38 lines
1.0 KiB
Fortran
!
|
|
! Copyright (C) 2001 PWSCF group
|
|
! This file is distributed under the terms of the
|
|
! GNU General Public License. See the file `License'
|
|
! in the root directory of the present distribution,
|
|
! or http://www.gnu.org/copyleft/gpl.txt .
|
|
!
|
|
!-----------------------------------------------------------------------
|
|
subroutine write_config_to_file
|
|
!-----------------------------------------------------------------------
|
|
USE control_flags, ONLY : lscf
|
|
USE kinds, ONLY : DP
|
|
USE io_files, ONLY : prefix, iunres
|
|
USE restart_module, ONLY : writefile_new
|
|
!
|
|
implicit none
|
|
!
|
|
logical :: exst
|
|
integer :: iunit
|
|
integer :: kunittmp
|
|
real(kind=DP) :: et_g(1,1), wg_g(1,1)
|
|
|
|
!
|
|
! do not modify the file if in a non-scf run..
|
|
! probably not needed precaution
|
|
!
|
|
if ( lscf ) then
|
|
!
|
|
! write configuration information directly to the general pourpose
|
|
! ".save" file
|
|
!
|
|
kunittmp = 1
|
|
call writefile_new( 'config', iunres, et_g, wg_g, kunittmp )
|
|
end if
|
|
!
|
|
return
|
|
end subroutine write_config_to_file
|