External real-space density modifier parameters


keyword: calculation.rhoExternalModifier.isIncluded

possible values: 1, true, 0, false

default value: false

description: If it is true or 1, the external real space density modifier defined in rhoExternalModifier.calculator will be used.

an example:

calculation.rhoExternalModifier.isIncluded = true


keyword: calculation.rhoExternalModifier.calculator

possible values: a structure with the two fields of class and parameter

default value: no default value, must be input when rhoExternalModifier.isIncluded is true.

description: This input parameter defines a plug-in calculator, where the field class clarifies the name of the calculator, and the field parameter gives its construction parameter. The constructor of the plug-in calculator will be called in the following manner: calculator = constructor([cp]) where [cp] = calculation.rhoExternalModifier.calculator.parameter

Only used when rhoExternalModifier.isIncluded is true.

For information about how to replace this plug-in calculator, type nanodcal -help plug-in and nanodcal -api.

an example:

calculation.rhoExternalModifier.calculator.class ...
= cAbstractRealspaceDensityModifier
calculation.rhoExternalModifier.calculator.parameter ...
= :math:`[\ ]`