man sc_PointInputData (Fonctions bibliothèques) - Contains data needed at each point by a DenFunctional.

NAME

sc::PointInputData - Contains data needed at each point by a DenFunctional.

SYNOPSIS



#include <functional.h>

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

Classes

struct SpinData

Detailed Description

Contains data needed at each point by a DenFunctional.

Author

Generated automatically by Doxygen for MPQC from the source code.