ExCorr::OrbitalDep Struct Reference

Abstract base class (interface specification) for orbital-dependent potential functionals. More...

#include <ExCorr.h>

Inheritance diagram for ExCorr::OrbitalDep:

Public Member Functions
	OrbitalDep (const Everything &e)
virtual bool	ignore_nCore () const =0
	Whether partial cores need to be ignored for this functional.
virtual ScalarFieldArray	getPotential () const =0
	Return orbital-dependent portion of potential (obtains any necessary electronic property directly from ElecVars / ElecInfo)
virtual void	dump () const =0
	Dump any functional-specific quantities.

Protected Attributes
const Everything &	e

Detailed Description

Abstract base class (interface specification) for orbital-dependent potential functionals.

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The documentation for this struct was generated from the following file:

• electronic/ExCorr.h