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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:
functional.h
Generated at Tue Jan 6 14:24:12 2004 for
MPQC
2.2.1 using the documentation package
Doxygen
1.3.4.