1<?xml version="1.0" encoding="UTF-8"?>
2<ui version="4.0">
3 <class>ComputeWfForm</class>
4 <widget class="QDialog" name="ComputeWfForm">
5  <property name="geometry">
6   <rect>
7    <x>0</x>
8    <y>0</y>
9    <width>486</width>
10    <height>623</height>
11   </rect>
12  </property>
13  <property name="windowTitle">
14   <string>Compute New Wave Function...</string>
15  </property>
16  <layout class="QGridLayout" name="gridLayout_3">
17   <item row="3" column="0">
18    <widget class="QDialogButtonBox" name="buttonBox">
19     <property name="orientation">
20      <enum>Qt::Horizontal</enum>
21     </property>
22     <property name="standardButtons">
23      <set>QDialogButtonBox::Cancel|QDialogButtonBox::Ok</set>
24     </property>
25    </widget>
26   </item>
27   <item row="2" column="0">
28    <widget class="QTabWidget" name="tabWidget">
29     <property name="sizePolicy">
30      <sizepolicy hsizetype="Expanding" vsizetype="Expanding">
31       <horstretch>0</horstretch>
32       <verstretch>0</verstretch>
33      </sizepolicy>
34     </property>
35     <property name="currentIndex">
36      <number>0</number>
37     </property>
38     <widget class="QWidget" name="page_WfSetup">
39      <attribute name="title">
40       <string>Wave Function</string>
41      </attribute>
42      <layout class="QGridLayout" name="gridLayout">
43       <item row="3" column="0">
44        <widget class="QScrollArea" name="scrollArea_2">
45         <property name="frameShape">
46          <enum>QFrame::NoFrame</enum>
47         </property>
48         <property name="widgetResizable">
49          <bool>true</bool>
50         </property>
51         <widget class="QWidget" name="scrollAreaWidgetContents_2">
52          <property name="geometry">
53           <rect>
54            <x>0</x>
55            <y>0</y>
56            <width>466</width>
57            <height>148</height>
58           </rect>
59          </property>
60          <layout class="QVBoxLayout" name="verticalLayout_2">
61           <item>
62            <widget class="QTextBrowser" name="textBrowser_WfNotes">
63             <property name="sizePolicy">
64              <sizepolicy hsizetype="Expanding" vsizetype="Expanding">
65               <horstretch>0</horstretch>
66               <verstretch>0</verstretch>
67              </sizepolicy>
68             </property>
69             <property name="frameShape">
70              <enum>QFrame::NoFrame</enum>
71             </property>
72             <property name="frameShadow">
73              <enum>QFrame::Plain</enum>
74             </property>
75             <property name="lineWidth">
76              <number>0</number>
77             </property>
78             <property name="midLineWidth">
79              <number>0</number>
80             </property>
81             <property name="html">
82              <string>&lt;!DOCTYPE HTML PUBLIC &quot;-//W3C//DTD HTML 4.0//EN&quot; &quot;http://www.w3.org/TR/REC-html40/strict.dtd&quot;&gt;
83&lt;html&gt;&lt;head&gt;&lt;meta name=&quot;qrichtext&quot; content=&quot;1&quot; /&gt;&lt;style type=&quot;text/css&quot;&gt;
84p, li { white-space: pre-wrap; }
85&lt;/style&gt;&lt;/head&gt;&lt;body style=&quot; font-family:'Sans Serif'; font-size:10pt; font-weight:400; font-style:normal;&quot;&gt;
86&lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;(*): Additional Spin over the minimum spin required to realize this charge. For a system with an even number of electrons, ExtraSpin=0 means closed-shell and ExtraSpin=1 means triplet; for a system with an odd number of electrons, ExtraSpin=0 means doublet and Extra Spin=1 means quartet.&lt;/p&gt;
87&lt;p style=&quot;-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;br /&gt;&lt;/p&gt;
88&lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;(**) DO NOT RUN THIS CALCULATION if you have less RAM than 2 GB + this! It could crash the operating system!&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
89             </property>
90            </widget>
91           </item>
92          </layout>
93         </widget>
94        </widget>
95       </item>
96       <item row="0" column="0">
97        <layout class="QVBoxLayout" name="verticalLayout">
98         <item>
99          <widget class="QGroupBox" name="groupBox_4">
100           <property name="title">
101            <string>Quantum Numbers</string>
102           </property>
103           <layout class="QGridLayout" name="gridLayout_6">
104            <item row="0" column="0">
105             <widget class="QLabel" name="label_8">
106              <property name="text">
107               <string>Charge:</string>
108              </property>
109             </widget>
110            </item>
111            <item row="0" column="1">
112             <widget class="QSpinBox" name="spinBox_WfCharge">
113              <property name="minimum">
114               <number>-4096</number>
115              </property>
116              <property name="maximum">
117               <number>4096</number>
118              </property>
119              <property name="wf_option" stdset="0">
120               <string>charge</string>
121              </property>
122             </widget>
123            </item>
124            <item row="1" column="0">
125             <widget class="QLabel" name="label_9">
126              <property name="text">
127               <string>Extra Spin (*):</string>
128              </property>
129             </widget>
130            </item>
131            <item row="1" column="1">
132             <widget class="QSpinBox" name="spinBox_WfSpin">
133              <property name="minimum">
134               <number>0</number>
135              </property>
136              <property name="maximum">
137               <number>4096</number>
138              </property>
139              <property name="singleStep">
140               <number>1</number>
141              </property>
142              <property name="value">
143               <number>0</number>
144              </property>
145              <property name="wf_option" stdset="0">
146               <string>extra_spin</string>
147              </property>
148             </widget>
149            </item>
150           </layout>
151          </widget>
152         </item>
153         <item>
154          <widget class="QGroupBox" name="groupBox_3">
155           <property name="title">
156            <string>SCF Setup</string>
157           </property>
158           <layout class="QGridLayout" name="gridLayout_5">
159            <item row="2" column="1">
160             <widget class="QComboBox" name="comboBox_ScfFunctional">
161              <property name="wf_option" stdset="0">
162               <string>functional</string>
163              </property>
164              <item>
165               <property name="text">
166                <string>PBE</string>
167               </property>
168              </item>
169              <item>
170               <property name="text">
171                <string>LDA (PW91C/DIRACX)</string>
172               </property>
173              </item>
174             </widget>
175            </item>
176            <item row="1" column="1">
177             <widget class="QComboBox" name="comboBox_ScfMethod">
178              <property name="wf_option" stdset="0">
179               <string>scf_method</string>
180              </property>
181              <item>
182               <property name="text">
183                <string>Kohn-Sham (DF-RKS)</string>
184               </property>
185              </item>
186             </widget>
187            </item>
188            <item row="2" column="0">
189             <widget class="QLabel" name="label_5">
190              <property name="text">
191               <string>Functional:</string>
192              </property>
193             </widget>
194            </item>
195            <item row="3" column="1">
196             <widget class="QComboBox" name="comboBox_ScfOrbitalBasis">
197              <property name="currentIndex">
198               <number>3</number>
199              </property>
200              <property name="wf_option" stdset="0">
201               <string>orb_basis</string>
202              </property>
203              <item>
204               <property name="text">
205                <string>def2-SV(P)</string>
206               </property>
207              </item>
208              <item>
209               <property name="text">
210                <string>def2-SVP</string>
211               </property>
212              </item>
213              <item>
214               <property name="text">
215                <string>def2-SVPD</string>
216               </property>
217              </item>
218              <item>
219               <property name="text">
220                <string>def2-TZVP</string>
221               </property>
222              </item>
223              <item>
224               <property name="text">
225                <string>def2-TZVPP</string>
226               </property>
227              </item>
228              <item>
229               <property name="text">
230                <string>def2-TZVPPD</string>
231               </property>
232              </item>
233              <item>
234               <property name="text">
235                <string>def2-QZVP</string>
236               </property>
237              </item>
238              <item>
239               <property name="text">
240                <string>def2-QZVPP</string>
241               </property>
242              </item>
243              <item>
244               <property name="text">
245                <string>def2-QZVPPD</string>
246               </property>
247              </item>
248             </widget>
249            </item>
250            <item row="4" column="0">
251             <widget class="QLabel" name="label_7">
252              <property name="text">
253               <string>Fit Basis:</string>
254              </property>
255             </widget>
256            </item>
257            <item row="4" column="1">
258             <widget class="QComboBox" name="comboBox_ScfFitBasis">
259              <property name="wf_option" stdset="0">
260               <string>fit_basis</string>
261              </property>
262              <item>
263               <property name="text">
264                <string>univ-JFIT</string>
265               </property>
266              </item>
267              <item>
268               <property name="text">
269                <string>univ-JKFIT</string>
270               </property>
271              </item>
272             </widget>
273            </item>
274            <item row="3" column="0">
275             <widget class="QLabel" name="label_6">
276              <property name="text">
277               <string>Orb. Basis:</string>
278              </property>
279             </widget>
280            </item>
281            <item row="1" column="0">
282             <widget class="QLabel" name="label_4">
283              <property name="text">
284               <string>SCF Method:</string>
285              </property>
286             </widget>
287            </item>
288           </layout>
289          </widget>
290         </item>
291         <item>
292          <widget class="QGroupBox" name="groupBox_2">
293           <property name="title">
294            <string>Run Settings</string>
295           </property>
296           <layout class="QGridLayout" name="gridLayout_12">
297            <item row="0" column="0">
298             <widget class="QLabel" name="label_2">
299              <property name="text">
300               <string>Number of Threads</string>
301              </property>
302             </widget>
303            </item>
304            <item row="0" column="1">
305             <widget class="QSpinBox" name="spinBox_NumThreads">
306              <property name="minimum">
307               <number>1</number>
308              </property>
309              <property name="maximum">
310               <number>256</number>
311              </property>
312              <property name="wf_option" stdset="0">
313               <string>num_threads</string>
314              </property>
315             </widget>
316            </item>
317            <item row="1" column="0">
318             <widget class="QLabel" name="label_WorkSpace">
319              <property name="text">
320               <string>Work Space/Thread (MB)</string>
321              </property>
322             </widget>
323            </item>
324            <item row="1" column="1">
325             <widget class="QSpinBox" name="spinBox_WorkSpacePerThread">
326              <property name="maximum">
327               <number>32000</number>
328              </property>
329              <property name="wf_option" stdset="0">
330               <string>work_space_mb</string>
331              </property>
332             </widget>
333            </item>
334           </layout>
335          </widget>
336         </item>
337        </layout>
338       </item>
339       <item row="1" column="0">
340        <widget class="QFrame" name="frame">
341         <property name="frameShape">
342          <enum>QFrame::StyledPanel</enum>
343         </property>
344         <property name="frameShadow">
345          <enum>QFrame::Raised</enum>
346         </property>
347         <layout class="QGridLayout" name="gridLayout_7">
348          <item row="0" column="0">
349           <widget class="QLabel" name="label">
350            <property name="text">
351             <string>Required Memory(**):</string>
352            </property>
353           </widget>
354          </item>
355          <item row="0" column="1">
356           <widget class="QLabel" name="label_MemoryGuess">
357            <property name="text">
358             <string>100023434 MB</string>
359            </property>
360           </widget>
361          </item>
362         </layout>
363        </widget>
364       </item>
365       <item row="2" column="0">
366        <spacer name="verticalSpacer">
367         <property name="orientation">
368          <enum>Qt::Vertical</enum>
369         </property>
370         <property name="sizeHint" stdset="0">
371          <size>
372           <width>20</width>
373           <height>83</height>
374          </size>
375         </property>
376        </spacer>
377       </item>
378      </layout>
379     </widget>
380     <widget class="QWidget" name="page_IbbaSetup">
381      <attribute name="title">
382       <string>Chemical Analysis</string>
383      </attribute>
384      <layout class="QGridLayout" name="gridLayout_2">
385       <item row="2" column="0">
386        <spacer name="verticalSpacer_2">
387         <property name="orientation">
388          <enum>Qt::Vertical</enum>
389         </property>
390         <property name="sizeHint" stdset="0">
391          <size>
392           <width>20</width>
393           <height>41</height>
394          </size>
395         </property>
396        </spacer>
397       </item>
398       <item row="0" column="0">
399        <widget class="QGroupBox" name="groupBox_5">
400         <property name="title">
401          <string>Molecular Orbital Analysis</string>
402         </property>
403         <layout class="QGridLayout" name="gridLayout_9">
404          <item row="3" column="1">
405           <widget class="QComboBox" name="comboBox_MoDiplay">
406            <property name="enabled">
407             <bool>false</bool>
408            </property>
409            <property name="wf_option" stdset="0">
410             <string>orb_display</string>
411            </property>
412            <item>
413             <property name="text">
414              <string>Occupied only</string>
415             </property>
416            </item>
417            <item>
418             <property name="text">
419              <string>Occupied + valence virtuals</string>
420             </property>
421            </item>
422           </widget>
423          </item>
424          <item row="3" column="0">
425           <widget class="QLabel" name="label_12">
426            <property name="text">
427             <string>Orbitals to Display(**):</string>
428            </property>
429           </widget>
430          </item>
431          <item row="1" column="1">
432           <widget class="QComboBox" name="comboBox_OrbitalLocalization">
433            <property name="currentIndex">
434             <number>1</number>
435            </property>
436            <property name="wf_option" stdset="0">
437             <string>loc_method</string>
438            </property>
439            <item>
440             <property name="text">
441              <string>None</string>
442             </property>
443            </item>
444            <item>
445             <property name="text">
446              <string>IBO (exponent 2)</string>
447             </property>
448            </item>
449            <item>
450             <property name="text">
451              <string>IBO (exponent 4)</string>
452             </property>
453            </item>
454           </widget>
455          </item>
456          <item row="2" column="0">
457           <widget class="QLabel" name="label_11">
458            <property name="text">
459             <string>Orbital Division(*):</string>
460            </property>
461           </widget>
462          </item>
463          <item row="2" column="1">
464           <widget class="QComboBox" name="comboBox_OpenShellSplit">
465            <property name="enabled">
466             <bool>false</bool>
467            </property>
468            <property name="wf_option" stdset="0">
469             <string>orb_division</string>
470            </property>
471            <item>
472             <property name="text">
473              <string>Closed/Open</string>
474             </property>
475            </item>
476            <item>
477             <property name="text">
478              <string>Alpha/Beta</string>
479             </property>
480            </item>
481           </widget>
482          </item>
483          <item row="1" column="0">
484           <widget class="QLabel" name="label_10">
485            <property name="text">
486             <string>Orbital Localization:</string>
487            </property>
488           </widget>
489          </item>
490         </layout>
491         <zorder>label_10</zorder>
492         <zorder>comboBox_OrbitalLocalization</zorder>
493         <zorder>label_11</zorder>
494         <zorder>comboBox_OpenShellSplit</zorder>
495         <zorder>label_12</zorder>
496         <zorder>comboBox_MoDiplay</zorder>
497        </widget>
498       </item>
499       <item row="1" column="0">
500        <widget class="QGroupBox" name="groupBox_6">
501         <property name="title">
502          <string>Atomic Orbital Analysis</string>
503         </property>
504         <layout class="QGridLayout" name="gridLayout_10">
505          <item row="0" column="0">
506           <widget class="QLabel" name="label_13">
507            <property name="text">
508             <string>Atomic Orbital Type:</string>
509            </property>
510           </widget>
511          </item>
512          <item row="0" column="1">
513           <widget class="QComboBox" name="comboBox_AoType">
514            <property name="enabled">
515             <bool>false</bool>
516            </property>
517            <property name="wf_option" stdset="0">
518             <string>ao_type</string>
519            </property>
520            <item>
521             <property name="text">
522              <string>IAO (Sym Orth.)</string>
523             </property>
524            </item>
525            <item>
526             <property name="text">
527              <string>IAO (ZBD Orth.)</string>
528             </property>
529            </item>
530           </widget>
531          </item>
532          <item row="1" column="0">
533           <widget class="QLabel" name="label_15">
534            <property name="text">
535             <string>Hybrid Orbitals:</string>
536            </property>
537           </widget>
538          </item>
539          <item row="1" column="1">
540           <widget class="QComboBox" name="comboBox_HybridOrbitals">
541            <property name="enabled">
542             <bool>false</bool>
543            </property>
544            <item>
545             <property name="text">
546              <string>No (keep raw IAO basis)</string>
547             </property>
548            </item>
549           </widget>
550          </item>
551          <item row="2" column="0">
552           <widget class="QLabel" name="label_14">
553            <property name="text">
554             <string>Bond Order Analysis:</string>
555            </property>
556           </widget>
557          </item>
558          <item row="2" column="1">
559           <widget class="QComboBox" name="comboBox_BondOrderAnalysis">
560            <property name="enabled">
561             <bool>false</bool>
562            </property>
563            <property name="currentIndex">
564             <number>1</number>
565            </property>
566            <property name="maxVisibleItems">
567             <number>17</number>
568            </property>
569            <property name="wf_option" stdset="0">
570             <string>bond_order_type</string>
571            </property>
572            <item>
573             <property name="text">
574              <string>IAO/Wiberg</string>
575             </property>
576            </item>
577            <item>
578             <property name="text">
579              <string>IAO/ReNorm</string>
580             </property>
581            </item>
582           </widget>
583          </item>
584          <item row="3" column="0">
585           <widget class="QLabel" name="label_16">
586            <property name="text">
587             <string>Partial Charge Analysis:</string>
588            </property>
589           </widget>
590          </item>
591          <item row="3" column="1">
592           <widget class="QComboBox" name="comboBox_ChargeAnalysisType">
593            <property name="enabled">
594             <bool>false</bool>
595            </property>
596            <property name="currentIndex">
597             <number>1</number>
598            </property>
599            <property name="maxVisibleItems">
600             <number>17</number>
601            </property>
602            <item>
603             <property name="text">
604              <string>No</string>
605             </property>
606            </item>
607            <item>
608             <property name="text">
609              <string>Simple (Atoms only)</string>
610             </property>
611            </item>
612            <item>
613             <property name="text">
614              <string>Detailed (incl. AO contributions)</string>
615             </property>
616            </item>
617           </widget>
618          </item>
619         </layout>
620         <zorder>comboBox_AoType</zorder>
621         <zorder>label_13</zorder>
622         <zorder>label_15</zorder>
623         <zorder>comboBox_HybridOrbitals</zorder>
624         <zorder>label_14</zorder>
625         <zorder>comboBox_BondOrderAnalysis</zorder>
626         <zorder>comboBox_ChargeAnalysisType</zorder>
627         <zorder>label_16</zorder>
628        </widget>
629       </item>
630       <item row="3" column="0">
631        <widget class="QScrollArea" name="scrollArea">
632         <property name="frameShape">
633          <enum>QFrame::NoFrame</enum>
634         </property>
635         <property name="frameShadow">
636          <enum>QFrame::Plain</enum>
637         </property>
638         <property name="widgetResizable">
639          <bool>true</bool>
640         </property>
641         <widget class="QWidget" name="scrollAreaWidgetContents">
642          <property name="geometry">
643           <rect>
644            <x>0</x>
645            <y>0</y>
646            <width>466</width>
647            <height>200</height>
648           </rect>
649          </property>
650          <layout class="QGridLayout" name="gridLayout_4">
651           <item row="0" column="0">
652            <widget class="QTextBrowser" name="textBrowser_3">
653             <property name="sizePolicy">
654              <sizepolicy hsizetype="Expanding" vsizetype="Preferred">
655               <horstretch>0</horstretch>
656               <verstretch>0</verstretch>
657              </sizepolicy>
658             </property>
659             <property name="frameShape">
660              <enum>QFrame::NoFrame</enum>
661             </property>
662             <property name="frameShadow">
663              <enum>QFrame::Plain</enum>
664             </property>
665             <property name="lineWidth">
666              <number>0</number>
667             </property>
668             <property name="midLineWidth">
669              <number>0</number>
670             </property>
671             <property name="html">
672              <string>&lt;!DOCTYPE HTML PUBLIC &quot;-//W3C//DTD HTML 4.0//EN&quot; &quot;http://www.w3.org/TR/REC-html40/strict.dtd&quot;&gt;
673&lt;html&gt;&lt;head&gt;&lt;meta name=&quot;qrichtext&quot; content=&quot;1&quot; /&gt;&lt;style type=&quot;text/css&quot;&gt;
674p, li { white-space: pre-wrap; }
675&lt;/style&gt;&lt;/head&gt;&lt;body style=&quot; font-family:'Sans Serif'; font-size:10pt; font-weight:400; font-style:normal;&quot;&gt;
676&lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;(*): Decides whether closed-shell and open-shell orbitals are localized separately, or alpha (spin up) and beta (spin down) orbitals are localized separately.&lt;/p&gt;
677&lt;p style=&quot;-qt-paragraph-type:empty; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;&lt;br /&gt;&lt;/p&gt;
678&lt;p style=&quot; margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;&quot;&gt;(**): Decides whether the main interface offers to display occupied molecular orbitals only (i.e., core, lone pair, and bond orbitals), all valence space MOs (i.e., also anti-bonds or low-lying unoccupied virtuals)&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
679             </property>
680            </widget>
681           </item>
682          </layout>
683         </widget>
684        </widget>
685       </item>
686      </layout>
687     </widget>
688    </widget>
689   </item>
690   <item row="0" column="0">
691    <widget class="QFrame" name="frame_ComputeSteps">
692     <property name="frameShape">
693      <enum>QFrame::NoFrame</enum>
694     </property>
695     <property name="frameShadow">
696      <enum>QFrame::Plain</enum>
697     </property>
698     <property name="lineWidth">
699      <number>0</number>
700     </property>
701     <property name="midLineWidth">
702      <number>0</number>
703     </property>
704     <layout class="QGridLayout" name="gridLayout_11">
705      <property name="margin">
706       <number>0</number>
707      </property>
708      <item row="0" column="0">
709       <widget class="QGroupBox" name="groupBox">
710        <property name="title">
711         <string>Computation Steps</string>
712        </property>
713        <layout class="QGridLayout" name="gridLayout_8">
714         <item row="0" column="0">
715          <widget class="QCheckBox" name="checkBox_RunScf">
716           <property name="text">
717            <string>Run Hartree-Fock/Kohn-Sham (DFT)</string>
718           </property>
719           <property name="checked">
720            <bool>true</bool>
721           </property>
722           <property name="wf_option" stdset="0">
723            <string>run_scf</string>
724           </property>
725          </widget>
726         </item>
727         <item row="1" column="0">
728          <widget class="QCheckBox" name="checkBox_RunIbba">
729           <property name="text">
730            <string>Run Chemical Analysis (IAO/IBO)</string>
731           </property>
732           <property name="checked">
733            <bool>true</bool>
734           </property>
735           <property name="wf_option" stdset="0">
736            <string>run_ibba</string>
737           </property>
738          </widget>
739         </item>
740        </layout>
741       </widget>
742      </item>
743     </layout>
744    </widget>
745   </item>
746  </layout>
747 </widget>
748 <tabstops>
749  <tabstop>checkBox_RunScf</tabstop>
750  <tabstop>checkBox_RunIbba</tabstop>
751  <tabstop>tabWidget</tabstop>
752  <tabstop>spinBox_WfCharge</tabstop>
753  <tabstop>spinBox_WfSpin</tabstop>
754  <tabstop>comboBox_ScfMethod</tabstop>
755  <tabstop>comboBox_ScfFunctional</tabstop>
756  <tabstop>comboBox_ScfOrbitalBasis</tabstop>
757  <tabstop>comboBox_ScfFitBasis</tabstop>
758  <tabstop>spinBox_NumThreads</tabstop>
759  <tabstop>spinBox_WorkSpacePerThread</tabstop>
760  <tabstop>comboBox_OrbitalLocalization</tabstop>
761  <tabstop>comboBox_OpenShellSplit</tabstop>
762  <tabstop>comboBox_MoDiplay</tabstop>
763  <tabstop>comboBox_AoType</tabstop>
764  <tabstop>comboBox_HybridOrbitals</tabstop>
765  <tabstop>comboBox_BondOrderAnalysis</tabstop>
766  <tabstop>comboBox_ChargeAnalysisType</tabstop>
767  <tabstop>buttonBox</tabstop>
768  <tabstop>scrollArea</tabstop>
769  <tabstop>textBrowser_3</tabstop>
770  <tabstop>textBrowser_WfNotes</tabstop>
771  <tabstop>scrollArea_2</tabstop>
772 </tabstops>
773 <resources/>
774 <connections>
775  <connection>
776   <sender>buttonBox</sender>
777   <signal>accepted()</signal>
778   <receiver>ComputeWfForm</receiver>
779   <slot>accept()</slot>
780   <hints>
781    <hint type="sourcelabel">
782     <x>248</x>
783     <y>254</y>
784    </hint>
785    <hint type="destinationlabel">
786     <x>157</x>
787     <y>274</y>
788    </hint>
789   </hints>
790  </connection>
791  <connection>
792   <sender>buttonBox</sender>
793   <signal>rejected()</signal>
794   <receiver>ComputeWfForm</receiver>
795   <slot>reject()</slot>
796   <hints>
797    <hint type="sourcelabel">
798     <x>316</x>
799     <y>260</y>
800    </hint>
801    <hint type="destinationlabel">
802     <x>286</x>
803     <y>274</y>
804    </hint>
805   </hints>
806  </connection>
807 </connections>
808</ui>
809