scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

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
This commit is contained in:
sbraccia 2003-11-17 09:31:14 +00:00
parent 87d29725af
commit 325209b241
1 changed files with 3 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3
Modules/io_files.f90
View File

@ -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