small bugfix - now correct enabling of CCSD in ORCA input dialog

cryos · Jun 7, 2016 · 386374d · 386374d
1 parent 50bef60
commit 386374d
Showing 1 changed file with 5 additions and 1 deletion.
diff --git a/libavogadro/src/extensions/orca/orcainputdialog.cpp b/libavogadro/src/extensions/orca/orcainputdialog.cpp
@@ -171,6 +171,7 @@ OrcaInputDialog::OrcaInputDialog(QWidget *parent, Qt::WindowFlags f ) :
       connect( ui.controlCosXCheck, SIGNAL( toggled( bool ) ), this, SLOT( setControlUseCosX( bool ) ) );
       connect( ui.controlDFTCheck, SIGNAL( toggled( bool ) ), this, SLOT( setControlUseDFT( bool ) ) );
       connect( ui.controlMP2Check, SIGNAL( toggled( bool ) ),this, SLOT( setControlUseMP2( bool ) ) );
+      connect( ui.controlCCSDCheck, SIGNAL( toggled( bool ) ),this, SLOT( setControlUseCCSD( bool ) ) );
 
       // Advanced SCF Slots
 
@@ -816,8 +817,9 @@ OrcaInputDialog::OrcaInputDialog(QWidget *parent, Qt::WindowFlags f ) :
 
       if (value) {
           ui.controlDFTCheck->setEnabled(!value);
+          ui.controlCCSDCheck->setEnabled(false);
           ui.basisAuxCorrBasisSetCombo->setEnabled(value);
-//          ui.basisAuxCorrECPCheck->setEnabled(value);
+          //          ui.basisAuxCorrECPCheck->setEnabled(value);
 
           if (!controlData->cosXEnabled()) {
               ui.basisAuxBasisSetCombo->setEnabled(!value);
@@ -1095,6 +1097,8 @@ OrcaInputDialog::OrcaInputDialog(QWidget *parent, Qt::WindowFlags f ) :
               }
           } else if ( controlData->mp2Enabled()) {
               mol << "RI-MP2 ";
+          } else if ( controlData->ccsdEnabled()) {
+              mol << "CCSD ";
           } else {
               mol << scfData->getTypeTxt() << " ";
           }