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sc::Becke88XFunctional Class ReferenceImplements Becke's 1988 exchange functional.
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#include <functional.h>
Inheritance diagram for sc::Becke88XFunctional:
[legend]Collaboration diagram for sc::Becke88XFunctional:
[legend]List of all members.
Public Methods |
| Becke88XFunctional () |
| Becke88XFunctional (const Ref< KeyVal > &) |
| Becke88XFunctional (StateIn &) |
| ~Becke88XFunctional () |
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 Attributes |
double | beta_ |
double | beta6_ |
Detailed Description
Implements Becke's 1988 exchange functional.
A. D. Becke, Phys. Rev. A, 38(6), pp. 3098-3100, 1988.
Member Function Documentation
void sc::Becke88XFunctional::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 08:14:18 2003 for MPQC
2.1.3 using the documentation package Doxygen
1.2.14.
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