Revision: 20437
http://sourceforge.net/p/jmol/code/20437
Author: hansonr
Date: 2015-04-07 16:55:16 +0000 (Tue, 07 Apr 2015)
Log Message:
-----------
Jmol.___JmolVersion="14.2.13_2015.04.07"
bug fix: Molden reader broken for Dalton2015 version
Modified Paths:
--------------
branches/v14_2/Jmol/src/org/jmol/adapter/readers/quantum/MoldenReader.java
branches/v14_2/Jmol/src/org/jmol/viewer/Jmol.properties
Modified:
branches/v14_2/Jmol/src/org/jmol/adapter/readers/quantum/MoldenReader.java
===================================================================
--- branches/v14_2/Jmol/src/org/jmol/adapter/readers/quantum/MoldenReader.java
2015-04-06 01:18:36 UTC (rev 20436)
+++ branches/v14_2/Jmol/src/org/jmol/adapter/readers/quantum/MoldenReader.java
2015-04-07 16:55:16 UTC (rev 20437)
@@ -349,20 +349,27 @@
}
tokens = getMoTokens(null);
}
+ int pt = 0;
while (tokens != null && tokens.length > 0
&& parseIntStr(tokens[0]) != Integer.MIN_VALUE) {
if (tokens.length != 2)
throw new Exception("invalid MO coefficient specification");
// tokens[0] is the function number, and tokens[1] is the coefficient
+ int i = parseIntStr(tokens[0]);
+ while (i > ++pt)
+ data.addLast("0");
data.addLast(tokens[1]);
tokens = getMoTokens(null);
}
-
- float[] coefs = new float[data.size()];
- if (orbitalType.equals("") && coefs.length < nCoef) {
+ if (orbitalType.equals("") && data.size() < nCoef) {
Logger.info("too few orbital coefficients for 6D");
checkOrbitalType("[5D]");
}
+ while (++pt <= nCoef) {
+ data.addLast("0");
+ }
+
+ float[] coefs = new float[nCoef];
for (int i = data.size(); --i >= 0;)
coefs[i] = parseFloatStr(data.get(i));
String l = line;
Modified: branches/v14_2/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- branches/v14_2/Jmol/src/org/jmol/viewer/Jmol.properties 2015-04-06
01:18:36 UTC (rev 20436)
+++ branches/v14_2/Jmol/src/org/jmol/viewer/Jmol.properties 2015-04-07
16:55:16 UTC (rev 20437)
@@ -4,8 +4,12 @@
# THIS IS THE RELEASE BRANCH
# BUG FIXES ONLY, PLEASE
-Jmol.___JmolVersion="14.2.13_2015.04.05b"
+Jmol.___JmolVersion="14.2.13_2015.04.07"
+bug fix: Molden reader broken for Dalton2015 version
+
+JmolVersion="14.2.13_2015.04.05b"
+
bug fix: language switching not working from popup menu;
bug fix: language bundles not processed in the correct order for variants
bug fix: for (var i in hashArray) {....} broken
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