From 07b718113dcd93516b1d497ad3579eaaaebb1be3 Mon Sep 17 00:00:00 2001 From: Alfio Lazzaro Date: Wed, 22 Mar 2017 14:43:43 +0000 Subject: [PATCH] protect diff_cp2k for the cases when there is no final energy svn-origin-rev: 17824 --- tools/diff_cp2k.py | 17 +++++++++-------- 1 file changed, 9 insertions(+), 8 deletions(-) diff --git a/tools/diff_cp2k.py b/tools/diff_cp2k.py index 0e8ae3ed7a..e7f6428e75 100755 --- a/tools/diff_cp2k.py +++ b/tools/diff_cp2k.py @@ -216,14 +216,15 @@ def main(): print("") - ref=float(files[args.file_lists[args.base-1]][1]) - color='\033[0m' - endc='\033[0m' - for filename in args.file_lists: - comp=(float(files[filename][1])-ref)/ref - if abs(comp)>1e-14: color='\033[91m' - else: color='\033[0m' - print(('{0} ==> {1} : {2} : '+color+'{3}'+endc).format(files[filename][0],filename,files[filename][1],(float(files[filename][1])-ref)/ref)) + if len(files[args.file_lists[args.base-1]][1])>0: + ref=float(files[args.file_lists[args.base-1]][1]) + color='\033[0m' + endc='\033[0m' + for filename in args.file_lists: + comp=(float(files[filename][1])-ref)/ref + if abs(comp)>1e-14: color='\033[91m' + else: color='\033[0m' + print(('{0} ==> {1} : {2} : '+color+'{3}'+endc).format(files[filename][0],filename,files[filename][1],(float(files[filename][1])-ref)/ref)) print("")