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sc::PointInputData Struct ReferenceContains data needed at each point by a DenFunctional.
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#include <functional.h>
Collaboration diagram for sc::PointInputData:
[legend]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 Methods |
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 Fri Jan 10 08:15:52 2003 for MPQC
2.1.3 using the documentation package Doxygen
1.2.14.
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