Class TheoryTabNoSoZora

PyQt4.QtGui.QWidget --+        
                      |        
       base_tab.BaseTab --+    
                          |    
                  TheoryTab --+
                              |
                             TheoryTabNoSoZora

A theory tab that removes the Spin-orbit ZORA option. Used for panels involving optimizations.

Instance Methods

[hide private]

Inherited from TheoryTab: getDefaultKeywords, getExcitedState, getFunctional, getHamiltonian, getMethod, getMmJagKeywords, getSpinTreatment, getTheoryLevel, loadSettings, setup

Inherited from TheoryTab (private): _checkSettings, _configureDftRecommended, _determineTheoryLevel, _getDftFunctional, _getGridKeywords, _getLmp2Keywords, _getSpinAndExcitedStateKeywords, _hamiltonianChanged, _levelOfTheoryChanged, _lmp2AndZora, _loadAndResetFunctional, _loadAndResetSpinAndExcited, _loadFunctional, _loadGridDensity, _loadHamiltonianSettings, _loadLmp2Settings, _loadSpinAndExcited, _populateDftOther, _populateExcitedStates, _populateGridDensity, _populateLmp2Combos, _setFunctional

Inherited from base_tab.BaseTab: __init__, activate, deactivate, error, loadPerAtomSettings, reset, saveSettings, validate, warning

Inherited from base_tab.BaseTab (private): _populateUi

Class Variables

[hide private]

HAMILTONIAN = OrderedDict((("Nonrelativistic", ""), ("Scalar Z...

Inherited from TheoryTab: CORE_LOCALIZATION_METHOD, CORE_LOCALIZATION_METHODS, DFT_FUNC, DFT_GRID_KEYWORDS, DFT_ONLY_KEYWORDS, DFT_OR_HF_KEYWORDS, DFT_OTHER, DFT_RECOMMENDED_FUNCS, EXCITED_STATE_TYPES, GRID_DENSITY, GRID_DENSITY_REV, HELP_TOPIC, LMP2_KEYWORDS, NAME, RESONANCE, THEORY_INDICES, THEORY_TO_INDEX, UI_MODULES, VALENCE_LOCALIZATION_METHODS, excited_state_changed, hamiltonianChanged, method_changed, spinTreatmentChanged

Instance Variables

[hide private]

Inherited from base_tab.BaseTab: input_selector, task_name, ui

Class Variable Details

[hide private]

HAMILTONIAN

Value:

OrderedDict((("Nonrelativistic", ""), ("Scalar ZORA (relativistic)", m
m.MMJAG_RELHAM_ZORA_1C)))