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sc::VWN3LCFunctional Class ReferenceThe VWN3LCFunctional computes energies and densities using the VWN3 local correlation term (from Vosko, Wilk, and Nusair).
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#include <functional.h>
Inheritance diagram for sc::VWN3LCFunctional:
[legend]Collaboration diagram for sc::VWN3LCFunctional:
[legend]List of all members.
Public Methods |
| VWN3LCFunctional (int mcp=1, int mce0=1) |
| VWN3LCFunctional (const Ref< KeyVal > &) |
| VWN3LCFunctional (StateIn &) |
| ~VWN3LCFunctional () |
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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void | point_lc (const PointInputData &, PointOutputData &, double &, double &, double &) |
Protected Attributes |
int | monte_carlo_prefactor_ |
int | monte_carlo_e0_ |
Detailed Description
The VWN3LCFunctional computes energies and densities using the VWN3 local correlation term (from Vosko, Wilk, and Nusair).
Member Function Documentation
void sc::VWN3LCFunctional::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::VWNLCFunctional. |
The documentation for this class was generated from the following file:
Generated at Fri Jan 10 08:17:30 2003 for MPQC
2.1.3 using the documentation package Doxygen
1.2.14.
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