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protect diff_cp2k for the cases when there is no final energy

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svn-origin-rev: 17824
This commit is contained in:
Alfio Lazzaro 2017-03-22 14:43:43 +00:00
parent 0ec224b870
commit 07b718113d
1 changed files with 9 additions and 8 deletions
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17
tools/diff_cp2k.py
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@ -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("")