From: <ate...@us...> - 2006-04-13 01:32:22
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Revision: 63 Author: atenderholt Date: 2006-04-12 18:32:20 -0700 (Wed, 12 Apr 2006) ViewCVS: http://svn.sourceforge.net/cclib/?rev=63&view=rev Log Message: ----------- Changed ADF parser to use right naming scheme for mosyms Modified Paths: -------------- trunk/src/cclib/parser/adfparser.py Modified: trunk/src/cclib/parser/adfparser.py =================================================================== --- trunk/src/cclib/parser/adfparser.py 2006-04-13 00:34:42 UTC (rev 62) +++ trunk/src/cclib/parser/adfparser.py 2006-04-13 01:32:20 UTC (rev 63) @@ -207,7 +207,7 @@ while len(line)>1: info=line.split() if len(info)==5: #this is restricted - self.mosyms[0].append(info[0]) + self.mosyms[0].append(info[0].replace('.','')) self.moenergies[0].append(convertor(float(info[3]),'hartree','eV')) if info[2]=='0.00' and not hasattr(self,'homos'): self.logger.info("Creating attribute homos[]") This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |