From: <ha...@us...> - 2010-06-16 16:27:34
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Revision: 13397 http://jmol.svn.sourceforge.net/jmol/?rev=13397&view=rev Author: hansonr Date: 2010-06-16 16:27:27 +0000 (Wed, 16 Jun 2010) Log Message: ----------- Modified Paths: -------------- trunk/Jmol/src/org/jmol/adapter/readers/quantum/QchemReader.java Modified: trunk/Jmol/src/org/jmol/adapter/readers/quantum/QchemReader.java =================================================================== --- trunk/Jmol/src/org/jmol/adapter/readers/quantum/QchemReader.java 2010-06-16 16:21:58 UTC (rev 13396) +++ trunk/Jmol/src/org/jmol/adapter/readers/quantum/QchemReader.java 2010-06-16 16:27:27 UTC (rev 13397) @@ -67,7 +67,6 @@ private MOInfo[] alphas = null; private MOInfo[] betas = null; - private int nShell = 0; // # of shells according to qchem private int nBasis = 0; // # of basis according to qchem @@ -308,7 +307,7 @@ } discardLinesUntilStartsWith(" There are"); tokens = getTokens(line); - nShell = parseInt(tokens[2]); + //nShell = parseInt(tokens[2]); nBasis = parseInt(tokens[5]); moData.put("calculationType", calculationType); } This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |