Revision: 20152
http://sourceforge.net/p/jmol/code/20152
Author: hansonr
Date: 2014-12-02 03:20:59 +0000 (Tue, 02 Dec 2014)
Log Message:
-----------
Jmol.___JmolVersion="14.3.11_2014.12.01"
bug fix: incommensurate magnetic CIF reading does not apply magnetic spin
operation to spin modulations
bug fix: CIF reader can cycle infinitely if loop_ keywords are not followed by
any data
new feature: Gaussian Input File creation defaults to "opt pop=full gfprint" to
generate orbital information by default.
FEATURE CHANGE: Gaussian Input File creation moved to Tools menu rather than
file...export
Modified Paths:
--------------
trunk/Jmol/src/org/jmol/viewer/Jmol.properties
trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/GaussianDialog.java
trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/Properties/Jmol-resources.properties
Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties
===================================================================
--- trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2014-12-02 02:52:04 UTC
(rev 20151)
+++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2014-12-02 03:20:59 UTC
(rev 20152)
@@ -20,6 +20,8 @@
bug fix: incommensurate magnetic CIF reading does not apply magnetic spin
operation to spin modulations
bug fix: CIF reader can cycle infinitely if loop_ keywords are not followed by
any data
+new feature: Gaussian Input File creation defaults to "opt pop=full gfprint"
to generate orbital information by default.
+FEATURE CHANGE: Gaussian Input File creation moved to Tools menu rather than
file...export
JmolVersion="14.3.11_2014.11.28"
Modified: trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/GaussianDialog.java
===================================================================
--- trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/GaussianDialog.java
2014-12-02 02:52:04 UTC (rev 20151)
+++ trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/GaussianDialog.java
2014-12-02 03:20:59 UTC (rev 20152)
@@ -194,7 +194,7 @@
super(f, false);
this.vwr = vwr;
- setTitle(GT._("Export Gaussian Input File"));
+ setTitle(GT._("Create Gaussian Input File"));
container = new JPanel();
container.setLayout(new BorderLayout());
@@ -290,7 +290,7 @@
routeLabels.add(optsLabel);
optsField = new JTextField(20);
routeControls.add(optsField);
- optsField.setText("opt");
+ optsField.setText("opt pop=full gfprint");
optsField.addActionListener(this);
routePanel.add(routeLabels, BorderLayout.LINE_START);
Modified:
trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/Properties/Jmol-resources.properties
===================================================================
---
trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/Properties/Jmol-resources.properties
2014-12-02 02:52:04 UTC (rev 20151)
+++
trunk/Jmol/src/org/openscience/jmol/app/jmolpanel/Properties/Jmol-resources.properties
2014-12-02 03:20:59 UTC (rev 20152)
@@ -47,7 +47,7 @@
openpdbImage=openPdbButton.png
openmolImage=openMolButton.png
exportMenuImage=saveButton.png
-exportMenu=export toweb povray write gauss
+exportMenu=export toweb povray write
exportImage=imageButton.png
povrayImage=povrayButton.png
gaussImage=gaussianButton.png
@@ -166,7 +166,7 @@
#
#tools=viewMeasurementTable animate vibrate graph chemicalShifts crystprop
tools=viewMeasurementTable distanceUnitsMenu animateMenu vibrateMenu
atomsetchooser \
- surfaceTool spectrumMenu
+ surfaceTool gauss spectrumMenu
viewMeasurementTableImage=rulerButton.gif
distanceUnitsMenuImage=distanceUnitsButton.png
animateMenuImage=animateButton.png
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