From 325209b241b97014cc8d1d434b26882a86cffa7a Mon Sep 17 00:00:00 2001 From: sbraccia Date: Mon, 17 Nov 2003 09:31:14 +0000 Subject: [PATCH] Added another unit needed by neb (and eventually by other codes) to terminate a simulation creating an empty file "EXIT" in the working directory. C.S. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@399 c92efa57-630b-4861-b058-cf58834340f0 --- Modules/io_files.f90 | 3 +++ 1 file changed, 3 insertions(+) diff --git a/Modules/io_files.f90 b/Modules/io_files.f90 index dff38d3d2..d3b9438cd 100644 --- a/Modules/io_files.f90 +++ b/Modules/io_files.f90 @@ -52,6 +52,8 @@ neb_file = 'os.neb', &! file containing informations needed to restart a neb simulation xyz_file = 'os.xyz', &! file containing coordinates of all images in xyz format axsf_file = 'os.axsf' ! file containing coordinates of all images in axsf format + CHARACTER (LEN=4), PARAMETER :: & + exit_file = "EXIT" ! file required for a soft exit ! ! ... The units where various variables are saved ! @@ -84,6 +86,7 @@ INTEGER :: iunint = 23 ! unit for saving the interpolated energy profile INTEGER :: iunxyz = 24 ! unit for saving coordinates ( xyz format ) INTEGER :: iunaxsf = 25 ! unit for saving coordinates ( axsf format ) + INTEGER :: iunexit = 26 ! unit for a soft exit !=----------------------------------------------------------------------------=! END MODULE io_files