<ui version="4.0" >
 <class>GamessPropDialog</class>
 <widget class="QDialog" name="GamessPropDialog" >
  <property name="geometry" >
   <rect>
    <x>0</x>
    <y>0</y>
    <width>450</width>
    <height>512</height>
   </rect>
  </property>
  <property name="windowTitle" >
   <string>GAMESS Properties</string>
  </property>
  <property name="windowIcon" >
   <iconset/>
  </property>
  <layout class="QGridLayout" >
   <property name="margin" >
    <number>9</number>
   </property>
   <property name="spacing" >
    <number>6</number>
   </property>
   <item row="0" column="0" colspan="5" >
    <layout class="QGridLayout" >
     <property name="margin" >
      <number>0</number>
     </property>
     <property name="spacing" >
      <number>6</number>
     </property>
     <item row="1" column="1" >
      <widget class="QComboBox" name="runtyp_combox" >
       <property name="toolTip" >
        <string>"Energy" = Energy Minina, "Optimization" = Equilibrium Geometry</string>
       </property>
       <property name="currentIndex" >
        <number>0</number>
       </property>
       <item>
        <property name="text" >
         <string>Energy</string>
        </property>
       </item>
       <item>
        <property name="text" >
         <string>Optimization</string>
        </property>
       </item>
      </widget>
     </item>
     <item row="1" column="2" colspan="2" >
      <spacer>
       <property name="orientation" >
        <enum>Qt::Horizontal</enum>
       </property>
       <property name="sizeType" >
        <enum>QSizePolicy::Expanding</enum>
       </property>
       <property name="sizeHint" >
        <size>
         <width>231</width>
         <height>20</height>
        </size>
       </property>
      </spacer>
     </item>
     <item row="3" column="1" colspan="2" >
      <layout class="QHBoxLayout" >
       <property name="margin" >
        <number>0</number>
       </property>
       <property name="spacing" >
        <number>6</number>
       </property>
       <item>
        <widget class="QLabel" name="jig_color_pixmap" >
         <property name="sizePolicy" >
          <sizepolicy>
           <hsizetype>5</hsizetype>
           <vsizetype>5</vsizetype>
           <horstretch>1</horstretch>
           <verstretch>0</verstretch>
          </sizepolicy>
         </property>
         <property name="minimumSize" >
          <size>
           <width>40</width>
           <height>0</height>
          </size>
         </property>
         <property name="scaledContents" >
          <bool>true</bool>
         </property>
        </widget>
       </item>
       <item>
        <widget class="QPushButton" name="choose_color_btn" >
         <property name="enabled" >
          <bool>true</bool>
         </property>
         <property name="sizePolicy" >
          <sizepolicy>
           <hsizetype>1</hsizetype>
           <vsizetype>0</vsizetype>
           <horstretch>0</horstretch>
           <verstretch>0</verstretch>
          </sizepolicy>
         </property>
         <property name="toolTip" >
          <string>Change the GAMESS jig color</string>
         </property>
         <property name="text" >
          <string>Choose...</string>
         </property>
         <property name="autoDefault" >
          <bool>false</bool>
         </property>
        </widget>
       </item>
      </layout>
     </item>
     <item rowspan="4" row="0" column="0" >
      <layout class="QVBoxLayout" >
       <property name="margin" >
        <number>0</number>
       </property>
       <property name="spacing" >
        <number>6</number>
       </property>
       <item>
        <widget class="QLabel" name="psetslbl_2_2" >
         <property name="text" >
          <string>Name :</string>
         </property>
         <property name="alignment" >
          <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
         </property>
        </widget>
       </item>
       <item>
        <widget class="QLabel" name="textLabel1_2_3" >
         <property name="text" >
          <string>Calculate :</string>
         </property>
         <property name="alignment" >
          <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
         </property>
        </widget>
       </item>
       <item>
        <widget class="QLabel" name="textLabel1_3" >
         <property name="text" >
          <string>Description :</string>
         </property>
         <property name="alignment" >
          <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
         </property>
        </widget>
       </item>
       <item>
        <widget class="QLabel" name="textLabel1_3_2" >
         <property name="text" >
          <string>Color :</string>
         </property>
         <property name="alignment" >
          <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
         </property>
        </widget>
       </item>
      </layout>
     </item>
     <item row="0" column="1" colspan="3" >
      <widget class="QLineEdit" name="name_linedit" >
       <property name="toolTip" >
        <string>Name of the GAMESS jig</string>
       </property>
       <property name="text" >
        <string/>
       </property>
      </widget>
     </item>
     <item row="2" column="1" colspan="3" >
      <widget class="QLineEdit" name="comment_linedit" >
       <property name="toolTip" >
        <string>Description, also placed in the $DATA section of the INP file</string>
       </property>
       <property name="text" >
        <string/>
       </property>
       <property name="maxLength" >
        <number>80</number>
       </property>
      </widget>
     </item>
     <item row="3" column="3" >
      <spacer>
       <property name="orientation" >
        <enum>Qt::Horizontal</enum>
       </property>
       <property name="sizeType" >
        <enum>QSizePolicy::Expanding</enum>
       </property>
       <property name="sizeHint" >
        <size>
         <width>191</width>
         <height>25</height>
        </size>
       </property>
      </spacer>
     </item>
    </layout>
   </item>
   <item row="1" column="0" colspan="5" >
    <layout class="QHBoxLayout" >
     <property name="margin" >
      <number>0</number>
     </property>
     <property name="spacing" >
      <number>6</number>
     </property>
     <item>
      <widget class="QGroupBox" name="scftyp_grpbox" >
       <property name="title" >
        <string>Electronic Structure Properties</string>
       </property>
       <layout class="QGridLayout" >
        <property name="margin" >
         <number>9</number>
        </property>
        <property name="spacing" >
         <number>6</number>
        </property>
        <item row="0" column="0" >
         <layout class="QHBoxLayout" >
          <property name="margin" >
           <number>0</number>
          </property>
          <property name="spacing" >
           <number>6</number>
          </property>
          <item>
           <widget class="QRadioButton" name="rhf_radiobtn" >
            <property name="toolTip" >
             <string>Restricted Hartree-Fock</string>
            </property>
            <property name="text" >
             <string>RHF</string>
            </property>
            <property name="checked" >
             <bool>true</bool>
            </property>
           </widget>
          </item>
          <item>
           <widget class="QRadioButton" name="uhf_radiobtn" >
            <property name="toolTip" >
             <string>Unrestricted Hartree-Fock</string>
            </property>
            <property name="text" >
             <string>UHF</string>
            </property>
           </widget>
          </item>
          <item>
           <widget class="QRadioButton" name="rohf_radiobtn" >
            <property name="toolTip" >
             <string>Restricted Open-shell Hartree-Fock</string>
            </property>
            <property name="text" >
             <string>ROHF</string>
            </property>
           </widget>
          </item>
         </layout>
        </item>
        <item row="1" column="0" >
         <layout class="QHBoxLayout" >
          <property name="margin" >
           <number>0</number>
          </property>
          <property name="spacing" >
           <number>6</number>
          </property>
          <item>
           <widget class="QLabel" name="textLabel1_4" >
            <property name="text" >
             <string>Charge:</string>
            </property>
            <property name="alignment" >
             <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
            </property>
           </widget>
          </item>
          <item>
           <widget class="QSpinBox" name="icharg_spinbox" >
            <property name="toolTip" >
             <string>The total charge of the structure (IGHARG)</string>
            </property>
            <property name="maximum" >
             <number>1</number>
            </property>
            <property name="minimum" >
             <number>-1</number>
            </property>
           </widget>
          </item>
          <item>
           <widget class="QLabel" name="textLabel1_2_2" >
            <property name="text" >
             <string>Multiplicity:</string>
            </property>
            <property name="alignment" >
             <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
            </property>
           </widget>
          </item>
          <item>
           <widget class="QComboBox" name="multi_combox" >
            <property name="toolTip" >
             <string>N + 1, where N is the number of unpaired electrons (MULT)</string>
            </property>
            <item>
             <property name="text" >
              <string>1</string>
             </property>
            </item>
            <item>
             <property name="text" >
              <string>2</string>
             </property>
            </item>
            <item>
             <property name="text" >
              <string>3</string>
             </property>
            </item>
            <item>
             <property name="text" >
              <string>4</string>
             </property>
            </item>
            <item>
             <property name="text" >
              <string>5</string>
             </property>
            </item>
            <item>
             <property name="text" >
              <string>6</string>
             </property>
            </item>
            <item>
             <property name="text" >
              <string>7</string>
             </property>
            </item>
           </widget>
          </item>
         </layout>
        </item>
       </layout>
      </widget>
     </item>
     <item>
      <widget class="QGroupBox" name="groupBox8" >
       <property name="title" >
        <string>System Memory and Usage</string>
       </property>
       <layout class="QGridLayout" >
        <property name="margin" >
         <number>9</number>
        </property>
        <property name="spacing" >
         <number>6</number>
        </property>
        <item row="0" column="0" >
         <layout class="QHBoxLayout" >
          <property name="margin" >
           <number>0</number>
          </property>
          <property name="spacing" >
           <number>6</number>
          </property>
          <item>
           <widget class="QLabel" name="textLabel2_2" >
            <property name="text" >
             <string>Memory :</string>
            </property>
            <property name="alignment" >
             <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
            </property>
           </widget>
          </item>
          <item>
           <widget class="QSpinBox" name="memory_spinbox" >
            <property name="toolTip" >
             <string>System memory reserved for calculation</string>
            </property>
            <property name="maximum" >
             <number>1024</number>
            </property>
            <property name="minimum" >
             <number>70</number>
            </property>
           </widget>
          </item>
          <item>
           <widget class="QLabel" name="textLabel1" >
            <property name="text" >
             <string>MB</string>
            </property>
           </widget>
          </item>
         </layout>
        </item>
        <item row="1" column="0" >
         <widget class="QCheckBox" name="dirscf_checkbox" >
          <property name="toolTip" >
           <string>Run the calculation in RAM</string>
          </property>
          <property name="text" >
           <string>DirectSCF</string>
          </property>
          <property name="checked" >
           <bool>true</bool>
          </property>
         </widget>
        </item>
       </layout>
      </widget>
     </item>
    </layout>
   </item>
   <item row="4" column="0" colspan="5" >
    <widget class="QCheckBox" name="edit_input_file_cbox" >
     <property name="toolTip" >
      <string>Opens INP file in an editor</string>
     </property>
     <property name="text" >
      <string>Open Input File in text editor</string>
     </property>
    </widget>
   </item>
   <item row="5" column="2" >
    <widget class="QPushButton" name="run_job_btn" >
     <property name="toolTip" >
      <string>Save GAMESS parameters and launch job</string>
     </property>
     <property name="text" >
      <string>Save and Run</string>
     </property>
     <property name="autoDefault" >
      <bool>false</bool>
     </property>
    </widget>
   </item>
   <item row="5" column="4" >
    <widget class="QPushButton" name="cancel_btn" >
     <property name="toolTip" >
      <string>Cancel</string>
     </property>
     <property name="text" >
      <string>Cancel</string>
     </property>
     <property name="autoDefault" >
      <bool>false</bool>
     </property>
     <property name="default" >
      <bool>false</bool>
     </property>
    </widget>
   </item>
   <item row="5" column="3" >
    <widget class="QPushButton" name="save_btn" >
     <property name="toolTip" >
      <string>Save GAMESS parameters and generates the INP file</string>
     </property>
     <property name="text" >
      <string>Save</string>
     </property>
     <property name="autoDefault" >
      <bool>false</bool>
     </property>
    </widget>
   </item>
   <item row="5" column="1" >
    <spacer>
     <property name="orientation" >
      <enum>Qt::Horizontal</enum>
     </property>
     <property name="sizeType" >
      <enum>QSizePolicy::Expanding</enum>
     </property>
     <property name="sizeHint" >
      <size>
       <width>121</width>
       <height>27</height>
      </size>
     </property>
    </spacer>
   </item>
   <item row="5" column="0" >
    <widget class="QToolButton" name="whats_this_btn" >
     <property name="minimumSize" >
      <size>
       <width>30</width>
       <height>27</height>
      </size>
     </property>
     <property name="toolTip" >
      <string>What's This Help Utility</string>
     </property>
     <property name="text" >
      <string/>
     </property>
     <property name="icon" >
      <iconset>../../../../:icons/GamessPropDialog_image1</iconset>
     </property>
    </widget>
   </item>
   <item row="3" column="0" colspan="5" >
    <widget class="QGroupBox" name="groupBox3" >
     <property name="title" >
      <string>Convergence Criteria</string>
     </property>
     <layout class="QGridLayout" >
      <property name="margin" >
       <number>9</number>
      </property>
      <property name="spacing" >
       <number>6</number>
      </property>
      <item row="0" column="3" >
       <spacer>
        <property name="orientation" >
         <enum>Qt::Horizontal</enum>
        </property>
        <property name="sizeType" >
         <enum>QSizePolicy::Expanding</enum>
        </property>
        <property name="sizeHint" >
         <size>
          <width>40</width>
          <height>20</height>
         </size>
        </property>
       </spacer>
      </item>
      <item row="0" column="5" >
       <spacer>
        <property name="orientation" >
         <enum>Qt::Horizontal</enum>
        </property>
        <property name="sizeType" >
         <enum>QSizePolicy::Expanding</enum>
        </property>
        <property name="sizeHint" >
         <size>
          <width>40</width>
          <height>20</height>
         </size>
        </property>
       </spacer>
      </item>
      <item row="0" column="4" >
       <layout class="QVBoxLayout" >
        <property name="margin" >
         <number>0</number>
        </property>
        <property name="spacing" >
         <number>6</number>
        </property>
        <item>
         <widget class="QLabel" name="iterations_lbl" >
          <property name="enabled" >
           <bool>false</bool>
          </property>
          <property name="text" >
           <string>Iterations :</string>
          </property>
         </widget>
        </item>
        <item>
         <widget class="QSpinBox" name="iterations_spinbox" >
          <property name="enabled" >
           <bool>false</bool>
          </property>
          <property name="toolTip" >
           <string>Maximum number of SCF iteration cycles (MAXIT)</string>
          </property>
          <property name="value" >
           <number>50</number>
          </property>
         </widget>
        </item>
       </layout>
      </item>
      <item row="0" column="2" >
       <layout class="QVBoxLayout" >
        <property name="margin" >
         <number>0</number>
        </property>
        <property name="spacing" >
         <number>6</number>
        </property>
        <item>
         <widget class="QLabel" name="rmsd_lbl" >
          <property name="enabled" >
           <bool>false</bool>
          </property>
          <property name="text" >
           <string>RMSD:</string>
          </property>
         </widget>
        </item>
        <item>
         <widget class="QComboBox" name="rmsd_combox" >
          <property name="enabled" >
           <bool>false</bool>
          </property>
          <property name="font" >
           <font>
            <family>Sans Serif</family>
            <pointsize>9</pointsize>
            <weight>50</weight>
            <italic>false</italic>
            <bold>false</bold>
            <underline>false</underline>
            <strikeout>false</strikeout>
           </font>
          </property>
          <property name="toolTip" >
           <string>Gradient convergence tolerance (OPTTOL)</string>
          </property>
          <property name="currentIndex" >
           <number>1</number>
          </property>
          <item>
           <property name="text" >
            <string>Coarse</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>Medium</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>Fine</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>Very Fine</string>
           </property>
          </item>
         </widget>
        </item>
       </layout>
      </item>
      <item row="0" column="1" >
       <spacer>
        <property name="orientation" >
         <enum>Qt::Horizontal</enum>
        </property>
        <property name="sizeType" >
         <enum>QSizePolicy::Expanding</enum>
        </property>
        <property name="sizeHint" >
         <size>
          <width>40</width>
          <height>20</height>
         </size>
        </property>
       </spacer>
      </item>
      <item row="0" column="0" >
       <layout class="QVBoxLayout" >
        <property name="margin" >
         <number>0</number>
        </property>
        <property name="spacing" >
         <number>6</number>
        </property>
        <item>
         <widget class="QLabel" name="textLabel3" >
          <property name="text" >
           <string>Energy and Density:</string>
          </property>
         </widget>
        </item>
        <item>
         <widget class="QComboBox" name="density_conv_combox" >
          <property name="toolTip" >
           <string>Accuracy of the electron density convergence (CONV)</string>
          </property>
          <property name="currentIndex" >
           <number>1</number>
          </property>
          <item>
           <property name="text" >
            <string>Coarse</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>Medium</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>Fine</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>Very Fine</string>
           </property>
          </item>
         </widget>
        </item>
       </layout>
      </item>
     </layout>
    </widget>
   </item>
   <item row="2" column="0" colspan="5" >
    <widget class="QGroupBox" name="groupBox2" >
     <property name="title" >
      <string>Electron Correlation Method</string>
     </property>
     <layout class="QGridLayout" >
      <property name="margin" >
       <number>9</number>
      </property>
      <property name="spacing" >
       <number>6</number>
      </property>
      <item row="1" column="0" >
       <layout class="QHBoxLayout" >
        <property name="margin" >
         <number>0</number>
        </property>
        <property name="spacing" >
         <number>6</number>
        </property>
        <item>
         <layout class="QVBoxLayout" >
          <property name="margin" >
           <number>0</number>
          </property>
          <property name="spacing" >
           <number>6</number>
          </property>
          <item>
           <widget class="QCheckBox" name="checkBox10_3_2" >
            <property name="enabled" >
             <bool>false</bool>
            </property>
            <property name="toolTip" >
             <string>Read $HESS group from previous output file</string>
            </property>
            <property name="text" >
             <string>Read $HESS Group</string>
            </property>
           </widget>
          </item>
          <item>
           <widget class="QCheckBox" name="checkBox10_2_2_2" >
            <property name="enabled" >
             <bool>false</bool>
            </property>
            <property name="toolTip" >
             <string comment="Only if Hf basis same as CI basis" >Read $VEC group from previous output file</string>
            </property>
            <property name="text" >
             <string>Read $VEC Group</string>
            </property>
           </widget>
          </item>
          <item>
           <widget class="QCheckBox" name="checkBox35" >
            <property name="enabled" >
             <bool>false</bool>
            </property>
            <property name="text" >
             <string>Frequencies</string>
            </property>
           </widget>
          </item>
         </layout>
        </item>
        <item>
         <widget class="QGroupBox" name="ecm_grpbox" >
          <property name="title" >
           <string/>
          </property>
          <layout class="QVBoxLayout" >
           <property name="margin" >
            <number>11</number>
           </property>
           <property name="spacing" >
            <number>6</number>
           </property>
           <item>
            <widget class="QRadioButton" name="none_radiobtn" >
             <property name="toolTip" >
              <string>Neglect electron correlation</string>
             </property>
             <property name="text" >
              <string>None</string>
             </property>
             <property name="checked" >
              <bool>true</bool>
             </property>
            </widget>
           </item>
           <item>
            <widget class="QRadioButton" name="dft_radiobtn" >
             <property name="toolTip" >
              <string>Perform a density functional theory calculation</string>
             </property>
             <property name="text" >
              <string>DFT</string>
             </property>
            </widget>
           </item>
           <item>
            <widget class="QRadioButton" name="mp2_radiobtn" >
             <property name="toolTip" >
              <string>Perform a Second-Order Moeller Plesset calculation</string>
             </property>
             <property name="text" >
              <string>MP2</string>
             </property>
            </widget>
           </item>
          </layout>
         </widget>
        </item>
        <item>
         <layout class="QVBoxLayout" >
          <property name="margin" >
           <number>0</number>
          </property>
          <property name="spacing" >
           <number>6</number>
          </property>
          <item>
           <layout class="QHBoxLayout" >
            <property name="margin" >
             <number>0</number>
            </property>
            <property name="spacing" >
             <number>6</number>
            </property>
            <item>
             <layout class="QVBoxLayout" >
              <property name="margin" >
               <number>0</number>
              </property>
              <property name="spacing" >
               <number>6</number>
              </property>
              <item>
               <widget class="QLabel" name="dfttyp_label" >
                <property name="enabled" >
                 <bool>false</bool>
                </property>
                <property name="text" >
                 <string>Functional:</string>
                </property>
                <property name="alignment" >
                 <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
                </property>
               </widget>
              </item>
              <item>
               <widget class="QLabel" name="gridsize_label" >
                <property name="enabled" >
                 <bool>false</bool>
                </property>
                <property name="text" >
                 <string>Grid Size:</string>
                </property>
                <property name="alignment" >
                 <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
                </property>
               </widget>
              </item>
             </layout>
            </item>
            <item>
             <layout class="QVBoxLayout" >
              <property name="margin" >
               <number>0</number>
              </property>
              <property name="spacing" >
               <number>6</number>
              </property>
              <item>
               <widget class="QComboBox" name="dfttyp_combox" >
                <property name="enabled" >
                 <bool>false</bool>
                </property>
                <property name="toolTip" >
                 <string>Density functional</string>
                </property>
                <item>
                 <property name="text" >
                  <string>SLATER (E)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>BECKE (E)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>GILL (E)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>PBE (E)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>VWN (C)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>LYP (C)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>OP (C)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>SVWN/LDA (E+C)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>SLYP (E+C)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>SOP (E+C)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>BVWN (E+C)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>BLYP (E+C)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>BOP (E+C)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>GVWN (E+C)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>GLYP (E+C)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>GOP (E+C)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>PBEVWN (E+C)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>PBELYP (E+C)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>PBEOP (E+C)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>BHHLYP (H)</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>B3LYP (H)</string>
                 </property>
                </item>
               </widget>
              </item>
              <item>
               <widget class="QComboBox" name="gridsize_combox" >
                <property name="enabled" >
                 <bool>false</bool>
                </property>
                <property name="toolTip" >
                 <string>Grid spacing for the DFT calculation</string>
                </property>
                <property name="currentIndex" >
                 <number>1</number>
                </property>
                <item>
                 <property name="text" >
                  <string>Coarse</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>Default</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>Fine</string>
                 </property>
                </item>
                <item>
                 <property name="text" >
                  <string>Army Grade</string>
                 </property>
                </item>
               </widget>
              </item>
             </layout>
            </item>
           </layout>
          </item>
          <item>
           <widget class="QCheckBox" name="core_electrons_checkbox" >
            <property name="enabled" >
             <bool>false</bool>
            </property>
            <property name="toolTip" >
             <string>Include both the valence and core electrons in the MP2 calculation</string>
            </property>
            <property name="text" >
             <string>Core electrons?</string>
            </property>
           </widget>
          </item>
         </layout>
        </item>
       </layout>
      </item>
      <item row="0" column="0" >
       <layout class="QHBoxLayout" >
        <property name="margin" >
         <number>0</number>
        </property>
        <property name="spacing" >
         <number>6</number>
        </property>
        <item>
         <widget class="QLabel" name="textLabel6" >
          <property name="text" >
           <string>Basis Set :</string>
          </property>
          <property name="alignment" >
           <set>Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter</set>
          </property>
         </widget>
        </item>
        <item>
         <widget class="QComboBox" name="gbasis_combox" >
          <property name="toolTip" >
           <string>Gaussian-type basis sets and semi-empirical parameters</string>
          </property>
          <property name="currentIndex" >
           <number>0</number>
          </property>
          <item>
           <property name="text" >
            <string>AM1</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>PM3</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>STO-3G</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>STO-6G</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>3-21G</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>3-21G*</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>6-31G</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>6-31G(d)</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>6-31G(d,p)</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>6-31+G(d)</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>6-31+G(d,p)</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>6-31++G(d)</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>6-31++G(d,p)</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>6-311G</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>6-311G(d)</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>6-311G(d,p)</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>6-311+G(d,p)</string>
           </property>
          </item>
          <item>
           <property name="text" >
            <string>6-311++G(d,p)</string>
           </property>
          </item>
         </widget>
        </item>
        <item>
         <spacer>
          <property name="orientation" >
           <enum>Qt::Horizontal</enum>
          </property>
          <property name="sizeType" >
           <enum>QSizePolicy::Expanding</enum>
          </property>
          <property name="sizeHint" >
           <size>
            <width>20</width>
            <height>20</height>
           </size>
          </property>
         </spacer>
        </item>
       </layout>
      </item>
     </layout>
    </widget>
   </item>
  </layout>
 </widget>
 <layoutdefault spacing="6" margin="11" />
 <resources/>
 <connections>
  <connection>
   <sender>cancel_btn</sender>
   <signal>clicked()</signal>
   <receiver>GamessPropDialog</receiver>
   <slot>reject()</slot>
   <hints>
    <hint type="sourcelabel" >
     <x>20</x>
     <y>20</y>
    </hint>
    <hint type="destinationlabel" >
     <x>20</x>
     <y>20</y>
    </hint>
   </hints>
  </connection>
  <connection>
   <sender>save_btn</sender>
   <signal>clicked()</signal>
   <receiver>GamessPropDialog</receiver>
   <slot>accept()</slot>
   <hints>
    <hint type="sourcelabel" >
     <x>20</x>
     <y>20</y>
    </hint>
    <hint type="destinationlabel" >
     <x>20</x>
     <y>20</y>
    </hint>
   </hints>
  </connection>
 </connections>
</ui>