sc::PointInputData(3) MPQC 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
Generated automatically by Doxygen for MPQC from the source code.
Version 2.3.1 Fri Feb 19 2016 sc::PointInputData(3)
