sc::PointInputData Struct Reference

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

#include <functional.h>

List of all members.

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.


The documentation for this struct was generated from the following file:
Generated at Mon Dec 3 23:23:50 2007 for MPQC 2.3.1 using the documentation package Doxygen 1.5.2.