sc::PointInputData(3)

NAME
sc::PointInputData -

Contains data needed at each point by a DenFunctional.

SYNOPSIS

#include <functional.h>

  Classes
struct SpinData

  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_)

  Public Attributes
SpinData a
SpinData b
double gamma_ab
const SCVector3 & r

Detailed Description

Contains data needed at each point by a DenFunctional.

Author

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