Contains data needed at each point by a DenFunctional. More...

#include <functional.h>

Collaboration diagram for sc::PointInputData:

Public Types
enum	{ X =BatchElectronDensity::X, Y =BatchElectronDensity::Y, Z =BatchElectronDensity::Z }

enum	{ XX =BatchElectronDensity::XX, YX =BatchElectronDensity::YX, YY =BatchElectronDensity::YY, ZX =BatchElectronDensity::ZX, ZY =BatchElectronDensity::ZY, ZZ =BatchElectronDensity::ZZ }

Public Member Functions
void	compute_derived (int spin_polarized, int need_gradient, int need_hessian)

	PointInputData (const SCVector3 &r_)

Detailed Description

Contains data needed at each point by a DenFunctional.

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

Classes