From: <ate...@us...> - 2006-04-25 05:31:10
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Revision: 89 Author: atenderholt Date: 2006-04-24 22:31:06 -0700 (Mon, 24 Apr 2006) ViewCVS: http://svn.sourceforge.net/cclib/?rev=89&view=rev Log Message: ----------- Minor fix to make it work with molecules lacking symmetry Modified Paths: -------------- trunk/src/cclib/parser/adfparser.py Modified: trunk/src/cclib/parser/adfparser.py =================================================================== --- trunk/src/cclib/parser/adfparser.py 2006-04-25 05:27:57 UTC (rev 88) +++ trunk/src/cclib/parser/adfparser.py 2006-04-25 05:31:06 UTC (rev 89) @@ -502,7 +502,9 @@ coeff=float(info[4]) if coeff<0: orbital+='-'+info[5]+info[6].replace(":","") else: orbital+="+"+info[5]+info[6].replace(":","") - + + else: + inputfile.next() self.fonames.append("%s_%s"%(frag,orbital)) symoffset+=num This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |