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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 = 0, Y = 1, Z = 2 }
enum  {
  XX = 0, YX = 1, YY = 2, ZX = 3,
  ZY = 4, ZZ = 5
}

Public Member Functions

void compute_derived (int spin_polarized, int need_gradient)
 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.


The documentation for this struct was generated from the following file:
Generated at Mon Nov 29 08:41:53 2004 for MPQC 2.2.2 using the documentation package Doxygen 1.3.9.1.