Revision: 20444
http://sourceforge.net/p/jmol/code/20444
Author: hansonr
Date: 2015-04-09 15:39:46 +0000 (Thu, 09 Apr 2015)
Log Message:
-----------
Jmol.___JmolVersion="14.3.13_2015.04.09"
bug fix: MO calculation hanging when G orbitals are present
Modified Paths:
--------------
branches/v14_2/Jmol/src/org/jmol/quantum/MOCalculation.java
branches/v14_2/Jmol/src/org/jmol/viewer/Jmol.properties
Modified: branches/v14_2/Jmol/src/org/jmol/quantum/MOCalculation.java
===================================================================
--- branches/v14_2/Jmol/src/org/jmol/quantum/MOCalculation.java 2015-04-09
15:39:43 UTC (rev 20443)
+++ branches/v14_2/Jmol/src/org/jmol/quantum/MOCalculation.java 2015-04-09
15:39:46 UTC (rev 20444)
@@ -144,6 +144,9 @@
this.gaussians = gaussians;
if (dfCoefMaps != null)
this.dfCoefMaps = dfCoefMaps;
+ if (dfCoefMaps != null)
+ this.dfCoefMaps = dfCoefMaps;
+ coeffs = new double[this.dfCoefMaps[this.dfCoefMaps.length - 1].length];
this.slaters = (SlaterData[]) slaters;
this.moCoefficients = moCoefficients;
this.linearCombination = linearCombination;
@@ -378,7 +381,7 @@
return sum;
}
- private final double[] coeffs = new double[10];
+ private double[] coeffs;
private int[] map;
private boolean setCoeffs(int type, boolean isProcess) {
Modified: branches/v14_2/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- branches/v14_2/Jmol/src/org/jmol/viewer/Jmol.properties 2015-04-09
15:39:43 UTC (rev 20443)
+++ branches/v14_2/Jmol/src/org/jmol/viewer/Jmol.properties 2015-04-09
15:39:46 UTC (rev 20444)
@@ -4,8 +4,12 @@
# THIS IS THE RELEASE BRANCH
# BUG FIXES ONLY, PLEASE
-Jmol.___JmolVersion="14.2.13_2015.04.08"
+Jmol.___JmolVersion="14.2.13_2015.04.09"
+bug fix: MO calculation hanging when G orbitals are present
+
+JmolVersion="14.2.13_2015.04.08"
+
bug fix: echo id myecho "testing" reports "myecho" instead of "testing"
JmolVersion="14.2.13_2015.04.07"
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