Package schrodinger :: Package application :: Package jaguar :: Package gui :: Module theory_tab_widgets

Module theory_tab_widgets

Classes

SpinTreatmentWidget
This widget allows user to specify SCF spin treatment options.

ExcitedStateWidget
This widget allows user to specify 'Excited state' options.

HFExcitedStateWidget
This widget differs from the parent only by some text, which is specific to HF theory level.

SpinExcitedStateController
Controller to facilitate interaction between widget that defines spin treatment options and excited state widget.

Variables

CONV_MIN = 1.e-12

CONV_MAX = 1.0