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sc::P86CFunctional Class ReferenceImplements the Perdew 1986 (P86) correlation functional.
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#include <functional.h>
Inheritance diagram for sc::P86CFunctional:
[legend]Collaboration diagram for sc::P86CFunctional:
[legend]List of all members.
Public Methods |
| P86CFunctional () |
| P86CFunctional (const Ref< KeyVal > &) |
| P86CFunctional (StateIn &) |
| ~P86CFunctional () |
void | save_data_state (StateOut &) |
| Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. More...
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int | need_density_gradient () |
void | point (const PointInputData &, PointOutputData &) |
Protected Methods |
void | init_constants () |
Protected Attributes |
double | a_ |
double | C1_ |
double | C2_ |
double | C3_ |
double | C4_ |
double | C5_ |
double | C6_ |
double | C7_ |
Detailed Description
Implements the Perdew 1986 (P86) correlation functional.
J. P. Perdew, Phys. Rev. B, 33(12), pp. 8822-8824.
J. P. Perdew, Phys. Rev. B. 34(10), pp. 7406.
Member Function Documentation
void sc::P86CFunctional::save_data_state |
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StateOut & |
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Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.
This must be implemented by the derived class if the class has data.
Reimplemented from sc::DenFunctional. |
The documentation for this class was generated from the following file:
Generated at Fri Jan 10 08:15:50 2003 for MPQC
2.1.3 using the documentation package Doxygen
1.2.14.
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