Variable that is mixed during SCF Component names are density-like, but when mixing potential, they refer to corresponding gradient. More...

#include <SCF.h>

Public Attributes
ScalarFieldArray	n
	electron density (or potential)

ScalarFieldArray	tau
	KE density (or potential) [mGGA only].

std::vector< matrix >	rhoAtom
	atomic density matrices (or corresponding potential) [DFT+U only]

Detailed Description

Variable that is mixed during SCF Component names are density-like, but when mixing potential, they refer to corresponding gradient.

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

Public Attributes