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544_update.patch
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544_update.patch
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diff -bruN ./data/glade/lbandsapplet.glade ../p4vasp_mod/data/glade/lbandsapplet.glade
--- ./data/glade/lbandsapplet.glade 2019-06-28 20:51:04.000000000 +0800
+++ ../p4vasp_mod/data/glade/lbandsapplet.glade 2019-06-28 20:40:39.000000000 +0800
@@ -444,14 +444,14 @@
<widget>
<class>GtkCheckButton</class>
- <name>dx2</name>
+ <name>x2-y2</name>
<can_focus>True</can_focus>
<signal>
<name>toggled</name>
<handler>on_d_toggled</handler>
<last_modification_time>Wed, 04 Dec 2002 15:42:50 GMT</last_modification_time>
</signal>
- <label>dx2</label>
+ <label>x2-y2</label>
<active>True</active>
<draw_indicator>True</draw_indicator>
<child>
diff -bruN ./data/glade/ldosapplet.glade ../p4vasp_mod/data/glade/ldosapplet.glade
--- ./data/glade/ldosapplet.glade 2019-06-28 20:51:04.000000000 +0800
+++ ../p4vasp_mod/data/glade/ldosapplet.glade 2019-06-28 20:40:21.000000000 +0800
@@ -511,14 +511,14 @@
<widget>
<class>GtkCheckButton</class>
- <name>dx2</name>
+ <name>x2-y2</name>
<can_focus>True</can_focus>
<signal>
<name>toggled</name>
<handler>on_d_toggled</handler>
<last_modification_time>Wed, 04 Dec 2002 15:42:50 GMT</last_modification_time>
</signal>
- <label>dx2</label>
+ <label>x2-y2</label>
<active>True</active>
<draw_indicator>True</draw_indicator>
<child>
diff -bruN ./data/glade2/elcontrolapplet.glade ../p4vasp_mod/data/glade2/elcontrolapplet.glade
--- ./data/glade2/elcontrolapplet.glade 2019-06-28 20:51:04.000000000 +0800
+++ ../p4vasp_mod/data/glade2/elcontrolapplet.glade 2019-06-28 20:41:13.000000000 +0800
@@ -695,10 +695,10 @@
</child>
<child>
- <widget class="GtkCheckButton" id="dx2">
+ <widget class="GtkCheckButton" id="x2-y2">
<property name="visible">True</property>
<property name="can_focus">True</property>
- <property name="label" translatable="yes">dx2</property>
+ <property name="label" translatable="yes">x2-y2</property>
<property name="use_underline">True</property>
<property name="relief">GTK_RELIEF_NORMAL</property>
<property name="active">True</property>
diff -bruN ./data/glade2/lbandsapplet.glade ../p4vasp_mod/data/glade2/lbandsapplet.glade
--- ./data/glade2/lbandsapplet.glade 2019-06-28 20:51:04.000000000 +0800
+++ ../p4vasp_mod/data/glade2/lbandsapplet.glade 2019-06-28 20:41:28.000000000 +0800
@@ -409,10 +409,10 @@
</child>
<child>
- <widget class="GtkCheckButton" id="dx2">
+ <widget class="GtkCheckButton" id="x2-y2">
<property name="visible">True</property>
<property name="can_focus">True</property>
- <property name="label" translatable="yes">dx2</property>
+ <property name="label" translatable="yes">x2-y2</property>
<property name="use_underline">True</property>
<property name="relief">GTK_RELIEF_NORMAL</property>
<property name="active">True</property>
diff -bruN ./data/glade2/ldosapplet.glade ../p4vasp_mod/data/glade2/ldosapplet.glade
--- ./data/glade2/ldosapplet.glade 2019-06-28 20:51:04.000000000 +0800
+++ ../p4vasp_mod/data/glade2/ldosapplet.glade 2019-06-28 20:40:54.000000000 +0800
@@ -454,10 +454,10 @@
</child>
<child>
- <widget class="GtkCheckButton" id="dx2">
+ <widget class="GtkCheckButton" id="x2-y2">
<property name="visible">True</property>
<property name="can_focus">True</property>
- <property name="label" translatable="yes">dx2</property>
+ <property name="label" translatable="yes">x2-y2</property>
<property name="use_underline">True</property>
<property name="relief">GTK_RELIEF_NORMAL</property>
<property name="active">True</property>
diff -bruN ./doc/api/python/p4vasp.SQLSystemPM-pysrc.html ../p4vasp_mod/doc/api/python/p4vasp.SQLSystemPM-pysrc.html
--- ./doc/api/python/p4vasp.SQLSystemPM-pysrc.html 2019-06-28 20:51:04.000000000 +0800
+++ ../p4vasp_mod/doc/api/python/p4vasp.SQLSystemPM-pysrc.html 2019-06-28 20:42:17.000000000 +0800
@@ -1143,7 +1143,7 @@
<a name="L226"></a><tt class="py-lineno">226</tt> <tt class="py-line"> <tt class="py-name">spins</tt><tt class="py-op">.</tt><tt class="py-name">sort</tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
<a name="L227"></a><tt class="py-lineno">227</tt> <tt class="py-line"> <tt class="py-keyword">if</tt> <tt class="py-name">spins</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op"><</tt><tt class="py-number">0</tt><tt class="py-op">:</tt> </tt>
<a name="L228"></a><tt class="py-lineno">228</tt> <tt class="py-line"> <tt class="py-name">spins</tt><tt class="py-op">.</tt><tt class="py-name">reverse</tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
-<a name="L229"></a><tt class="py-lineno">229</tt> <tt class="py-line"> <tt class="py-name">sorbitals</tt><tt class="py-op">=</tt><tt class="py-name">map</tt><tt class="py-op">(</tt><tt class="py-name">intern</tt><tt class="py-op">,</tt><tt class="py-op">[</tt><tt class="py-string">"s"</tt><tt class="py-op">,</tt><tt class="py-string">"p"</tt><tt class="py-op">,</tt><tt class="py-string">"px"</tt><tt class="py-op">,</tt><tt class="py-string">"py"</tt><tt class="py-op">,</tt><tt class="py-string">"pz"</tt><tt class="py-op">,</tt><tt class="py-string">"d"</tt><tt class="py-op">,</tt><tt class="py-string">"dxy"</tt><tt class="py-op">,</tt><tt class="py-string">"dyz"</tt><tt class="py-op">,</tt><tt class="py-string">"dxz"</tt><tt class="py-op">,</tt><tt class="py-string">"dz2"</tt><tt class="py-op">,</tt><tt class="py-string">"dx2"</tt><tt class="py-op">,</tt><tt class="py-string">"f"</tt><tt class="py-op">,</tt> </tt>
+<a name="L229"></a><tt class="py-lineno">229</tt> <tt class="py-line"> <tt class="py-name">sorbitals</tt><tt class="py-op">=</tt><tt class="py-name">map</tt><tt class="py-op">(</tt><tt class="py-name">intern</tt><tt class="py-op">,</tt><tt class="py-op">[</tt><tt class="py-string">"s"</tt><tt class="py-op">,</tt><tt class="py-string">"p"</tt><tt class="py-op">,</tt><tt class="py-string">"px"</tt><tt class="py-op">,</tt><tt class="py-string">"py"</tt><tt class="py-op">,</tt><tt class="py-string">"pz"</tt><tt class="py-op">,</tt><tt class="py-string">"d"</tt><tt class="py-op">,</tt><tt class="py-string">"dxy"</tt><tt class="py-op">,</tt><tt class="py-string">"dyz"</tt><tt class="py-op">,</tt><tt class="py-string">"dxz"</tt><tt class="py-op">,</tt><tt class="py-string">"dz2"</tt><tt class="py-op">,</tt><tt class="py-string">"x2-y2"</tt><tt class="py-op">,</tt><tt class="py-string">"f"</tt><tt class="py-op">,</tt> </tt>
<a name="L230"></a><tt class="py-lineno">230</tt> <tt class="py-line"> <tt class="py-string">"f1"</tt><tt class="py-op">,</tt><tt class="py-string">"f2"</tt><tt class="py-op">,</tt><tt class="py-string">"f3"</tt><tt class="py-op">,</tt><tt class="py-string">"f4"</tt><tt class="py-op">,</tt><tt class="py-string">"f5"</tt><tt class="py-op">,</tt><tt class="py-string">"f6"</tt><tt class="py-op">,</tt><tt class="py-string">"f7"</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L231"></a><tt class="py-lineno">231</tt> <tt class="py-line"> <tt class="py-keyword">for</tt> <tt class="py-name">x</tt> <tt class="py-keyword">in</tt> <tt id="link-178" class="py-name"><a title="p4vasp.applet.ElectronicApplet.orbitals" class="py-name" href="#" onclick="return doclink('link-178', 'orbitals', 'link-174');">orbitals</a></tt><tt class="py-op">[</tt><tt class="py-op">:</tt><tt class="py-op">]</tt><tt class="py-op">:</tt> </tt>
<a name="L232"></a><tt class="py-lineno">232</tt> <tt class="py-line"> <tt class="py-keyword">if</tt> <tt class="py-name">x</tt> <tt class="py-keyword">not</tt> <tt class="py-keyword">in</tt> <tt class="py-name">sorbitals</tt><tt class="py-op">:</tt> </tt>
diff -bruN ./doc/api/python/p4vasp.applet.ElectronicApplet-module.html ../p4vasp_mod/doc/api/python/p4vasp.applet.ElectronicApplet-module.html
--- ./doc/api/python/p4vasp.applet.ElectronicApplet-module.html 2019-06-28 20:51:04.000000000 +0800
+++ ../p4vasp_mod/doc/api/python/p4vasp.applet.ElectronicApplet-module.html 2019-06-28 20:41:57.000000000 +0800
@@ -115,7 +115,7 @@
<td width="15%" align="right" valign="top" class="summary">
<span class="summary-type"> </span>
</td><td class="summary">
- <a href="p4vasp.applet.ElectronicApplet-module.html#orbitals" class="summary-name">orbitals</a> = <code title="map(intern, ["s", "px", "py", "pz", "dxy", "dyz", "dxz", "dz2", "dx2",\
+ <a href="p4vasp.applet.ElectronicApplet-module.html#orbitals" class="summary-name">orbitals</a> = <code title="map(intern, ["s", "px", "py", "pz", "dxy", "dyz", "dxz", "dz2", "x2-y2",\
"f1", "f2", "f3", "f4", "f5", "f6", "f7"])">map(intern, ["s", "px", "py", "pz", "dxy", "dyz", "<code class="variable-ellipsis">...</code></code>
</td>
</tr>
@@ -130,7 +130,7 @@
<td width="15%" align="right" valign="top" class="summary">
<span class="summary-type"> </span>
</td><td class="summary">
- <a name="orbitals_d"></a><span class="summary-name">orbitals_d</span> = <code title="map(intern, ["dxy", "dyz", "dxz", "dz2", "dx2"])">map(intern, ["dxy", "dyz", "dxz", "dz2", "dx2"])</code>
+ <a name="orbitals_d"></a><span class="summary-name">orbitals_d</span> = <code title="map(intern, ["dxy", "dyz", "dxz", "dz2", "x2-y2"])">map(intern, ["dxy", "dyz", "dxz", "dz2", "x2-y2"])</code>
</td>
</tr>
<tr>
@@ -186,7 +186,7 @@
<dl class="fields">
<dt>Value:</dt>
<dd><table><tr><td><pre class="variable">
-map(intern, ["s", "px", "py", "pz", "dxy", "dyz", "dxz", "dz2", "dx2",<span class="variable-linewrap"><img src="crarr.png" alt="\" /></span>
+map(intern, ["s", "px", "py", "pz", "dxy", "dyz", "dxz", "dz2", "x2-y2",<span class="variable-linewrap"><img src="crarr.png" alt="\" /></span>
"f1", "f2", "f3", "f4", "f5", "f6", "f7"])
</pre></td></tr></table>
</dd>
diff -bruN ./doc/api/python/p4vasp.applet.ElectronicApplet-pysrc.html ../p4vasp_mod/doc/api/python/p4vasp.applet.ElectronicApplet-pysrc.html
--- ./doc/api/python/p4vasp.applet.ElectronicApplet-pysrc.html 2019-06-28 20:51:04.000000000 +0800
+++ ../p4vasp_mod/doc/api/python/p4vasp.applet.ElectronicApplet-pysrc.html 2019-06-28 20:42:33.000000000 +0800
@@ -100,10 +100,10 @@
<a name="L32"></a><tt class="py-lineno"> 32</tt> <tt class="py-line"><tt class="py-keyword">import</tt> <tt class="py-name">gtk</tt> </tt>
<a name="L33"></a><tt class="py-lineno"> 33</tt> <tt class="py-line"> </tt>
<a name="L34"></a><tt class="py-lineno"> 34</tt> <tt class="py-line"> </tt>
-<a name="L35"></a><tt class="py-lineno"> 35</tt> <tt class="py-line"><tt id="link-14" class="py-name" targets="Variable p4vasp.applet.ElectronicApplet.orbitals=p4vasp.applet.ElectronicApplet-module.html#orbitals"><a title="p4vasp.applet.ElectronicApplet.orbitals" class="py-name" href="#" onclick="return doclink('link-14', 'orbitals', 'link-14');">orbitals</a></tt> <tt class="py-op">=</tt><tt class="py-name">map</tt><tt class="py-op">(</tt><tt class="py-name">intern</tt><tt class="py-op">,</tt><tt class="py-op">[</tt><tt class="py-string">"s"</tt><tt class="py-op">,</tt><tt class="py-string">"px"</tt><tt class="py-op">,</tt><tt class="py-string">"py"</tt><tt class="py-op">,</tt><tt class="py-string">"pz"</tt><tt class="py-op">,</tt><tt class="py-string">"dxy"</tt><tt class="py-op">,</tt><tt class="py-string">"dyz"</tt><tt class="py-op">,</tt><tt class="py-string">"dxz"</tt><tt class="py-op">,</tt><tt class="py-string">"dz2"</tt><tt class="py-op">,</tt><tt class="py-string">"dx2"</tt><tt class="py-op">,</tt> </tt>
+<a name="L35"></a><tt class="py-lineno"> 35</tt> <tt class="py-line"><tt id="link-14" class="py-name" targets="Variable p4vasp.applet.ElectronicApplet.orbitals=p4vasp.applet.ElectronicApplet-module.html#orbitals"><a title="p4vasp.applet.ElectronicApplet.orbitals" class="py-name" href="#" onclick="return doclink('link-14', 'orbitals', 'link-14');">orbitals</a></tt> <tt class="py-op">=</tt><tt class="py-name">map</tt><tt class="py-op">(</tt><tt class="py-name">intern</tt><tt class="py-op">,</tt><tt class="py-op">[</tt><tt class="py-string">"s"</tt><tt class="py-op">,</tt><tt class="py-string">"px"</tt><tt class="py-op">,</tt><tt class="py-string">"py"</tt><tt class="py-op">,</tt><tt class="py-string">"pz"</tt><tt class="py-op">,</tt><tt class="py-string">"dxy"</tt><tt class="py-op">,</tt><tt class="py-string">"dyz"</tt><tt class="py-op">,</tt><tt class="py-string">"dxz"</tt><tt class="py-op">,</tt><tt class="py-string">"dz2"</tt><tt class="py-op">,</tt><tt class="py-string">"x2-y2"</tt><tt class="py-op">,</tt> </tt>
<a name="L36"></a><tt class="py-lineno"> 36</tt> <tt class="py-line"> <tt class="py-string">"f1"</tt><tt class="py-op">,</tt><tt class="py-string">"f2"</tt><tt class="py-op">,</tt><tt class="py-string">"f3"</tt><tt class="py-op">,</tt><tt class="py-string">"f4"</tt><tt class="py-op">,</tt><tt class="py-string">"f5"</tt><tt class="py-op">,</tt><tt class="py-string">"f6"</tt><tt class="py-op">,</tt><tt class="py-string">"f7"</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L37"></a><tt class="py-lineno"> 37</tt> <tt class="py-line"><tt id="link-15" class="py-name" targets="Variable p4vasp.applet.ElectronicApplet.orbitals_p=p4vasp.applet.ElectronicApplet-module.html#orbitals_p"><a title="p4vasp.applet.ElectronicApplet.orbitals_p" class="py-name" href="#" onclick="return doclink('link-15', 'orbitals_p', 'link-15');">orbitals_p</a></tt><tt class="py-op">=</tt><tt class="py-name">map</tt><tt class="py-op">(</tt><tt class="py-name">intern</tt><tt class="py-op">,</tt><tt class="py-op">[</tt><tt class="py-string">"px"</tt><tt class="py-op">,</tt><tt class="py-string">"py"</tt><tt class="py-op">,</tt><tt class="py-string">"pz"</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
-<a name="L38"></a><tt class="py-lineno"> 38</tt> <tt class="py-line"><tt id="link-16" class="py-name" targets="Variable p4vasp.applet.ElectronicApplet.orbitals_d=p4vasp.applet.ElectronicApplet-module.html#orbitals_d"><a title="p4vasp.applet.ElectronicApplet.orbitals_d" class="py-name" href="#" onclick="return doclink('link-16', 'orbitals_d', 'link-16');">orbitals_d</a></tt><tt class="py-op">=</tt><tt class="py-name">map</tt><tt class="py-op">(</tt><tt class="py-name">intern</tt><tt class="py-op">,</tt><tt class="py-op">[</tt><tt class="py-string">"dxy"</tt><tt class="py-op">,</tt><tt class="py-string">"dyz"</tt><tt class="py-op">,</tt><tt class="py-string">"dxz"</tt><tt class="py-op">,</tt><tt class="py-string">"dz2"</tt><tt class="py-op">,</tt><tt class="py-string">"dx2"</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
+<a name="L38"></a><tt class="py-lineno"> 38</tt> <tt class="py-line"><tt id="link-16" class="py-name" targets="Variable p4vasp.applet.ElectronicApplet.orbitals_d=p4vasp.applet.ElectronicApplet-module.html#orbitals_d"><a title="p4vasp.applet.ElectronicApplet.orbitals_d" class="py-name" href="#" onclick="return doclink('link-16', 'orbitals_d', 'link-16');">orbitals_d</a></tt><tt class="py-op">=</tt><tt class="py-name">map</tt><tt class="py-op">(</tt><tt class="py-name">intern</tt><tt class="py-op">,</tt><tt class="py-op">[</tt><tt class="py-string">"dxy"</tt><tt class="py-op">,</tt><tt class="py-string">"dyz"</tt><tt class="py-op">,</tt><tt class="py-string">"dxz"</tt><tt class="py-op">,</tt><tt class="py-string">"dz2"</tt><tt class="py-op">,</tt><tt class="py-string">"x2-y2"</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L39"></a><tt class="py-lineno"> 39</tt> <tt class="py-line"><tt id="link-17" class="py-name" targets="Variable p4vasp.applet.ElectronicApplet.orbitals_f=p4vasp.applet.ElectronicApplet-module.html#orbitals_f"><a title="p4vasp.applet.ElectronicApplet.orbitals_f" class="py-name" href="#" onclick="return doclink('link-17', 'orbitals_f', 'link-17');">orbitals_f</a></tt><tt class="py-op">=</tt><tt class="py-name">map</tt><tt class="py-op">(</tt><tt class="py-name">intern</tt><tt class="py-op">,</tt><tt class="py-op">[</tt><tt class="py-string">"f1"</tt><tt class="py-op">,</tt><tt class="py-string">"f2"</tt><tt class="py-op">,</tt><tt class="py-string">"f3"</tt><tt class="py-op">,</tt><tt class="py-string">"f4"</tt><tt class="py-op">,</tt><tt class="py-string">"f5"</tt><tt class="py-op">,</tt><tt class="py-string">"f6"</tt><tt class="py-op">,</tt><tt class="py-string">"f7"</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L40"></a><tt class="py-lineno"> 40</tt> <tt class="py-line"> </tt>
<a name="Line"></a><div id="Line-def"><a name="L41"></a><tt class="py-lineno"> 41</tt> <a class="py-toggle" href="#" id="Line-toggle" onclick="return toggle('Line');">-</a><tt class="py-line"><tt class="py-keyword">class</tt> <a class="py-def-name" href="p4vasp.applet.ElectronicApplet.Line-class.html">Line</a><tt class="py-op">:</tt> </tt>
diff -bruN ./lib/p4vasp/SQLSystemPM.py ../p4vasp_mod/lib/p4vasp/SQLSystemPM.py
--- ./lib/p4vasp/SQLSystemPM.py 2019-06-28 20:51:03.000000000 +0800
+++ ../p4vasp_mod/lib/p4vasp/SQLSystemPM.py 2019-06-28 20:42:50.000000000 +0800
@@ -226,7 +226,7 @@
spins.sort()
if spins[0]<0:
spins.reverse()
- sorbitals=map(intern,["s","p","px","py","pz","d","dxy","dyz","dxz","dz2","dx2","f",
+ sorbitals=map(intern,["s","p","px","py","pz","d","dxy","dyz","dxz","dz2","x2-y2","f",
"f1","f2","f3","f4","f5","f6","f7"])
for x in orbitals[:]:
if x not in sorbitals:
diff -bruN ./lib/p4vasp/applet/ElectronicApplet.py ../p4vasp_mod/lib/p4vasp/applet/ElectronicApplet.py
--- ./lib/p4vasp/applet/ElectronicApplet.py 2019-06-28 20:51:03.000000000 +0800
+++ ../p4vasp_mod/lib/p4vasp/applet/ElectronicApplet.py 2019-06-28 20:43:03.000000000 +0800
@@ -32,10 +32,10 @@
import gtk
-orbitals =map(intern,["s","px","py","pz","dxy","dyz","dxz","dz2","dx2",
+orbitals =map(intern,["s","px","py","pz","dxy","dyz","dxz","dz2","x2-y2",
"f1","f2","f3","f4","f5","f6","f7"])
orbitals_p=map(intern,["px","py","pz"])
-orbitals_d=map(intern,["dxy","dyz","dxz","dz2","dx2"])
+orbitals_d=map(intern,["dxy","dyz","dxz","dz2","x2-y2"])
orbitals_f=map(intern,["f1","f2","f3","f4","f5","f6","f7"])
class Line: