sc::PointInputData Struct Reference

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

#include <functional.h>

List of all members.

Public Types
	X = BatchElectronDensity::X
	Y = BatchElectronDensity::Y
	Z = BatchElectronDensity::Z
	XX = BatchElectronDensity::XX
	YX = BatchElectronDensity::YX
	YY = BatchElectronDensity::YY
	ZX = BatchElectronDensity::ZX
	ZY = BatchElectronDensity::ZY
	ZZ = BatchElectronDensity::ZZ
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_)
Public Attributes
SpinData	a
SpinData	b
double	gamma_ab
const SCVector3 &	r
Classes
struct	SpinData

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Detailed Description

Contains data needed at each point by a DenFunctional.

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

• functional.h

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