sc_PointInputData3
Contains data needed at each point by a denfunctional.
Usage
#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.
Releases
6 releases since Debian 3.1 (Sarge); the text changed 5 times.