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sc::PsiCCSD Class Reference

PsiCCSD is a concrete implementation of Psi CCSD wave function. More...

#include <psiwfn.h>

Inheritance diagram for sc::PsiCCSD:

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Collaboration diagram for sc::PsiCCSD:

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List of all members.

Public Methods

 PsiCCSD (const Ref< KeyVal > &)
 PsiCCSD (StateIn &)
 ~PsiCCSD ()
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...

int spin_polarized ()
 Return 1 if the alpha density is not equal to the beta density.

int gradient_implemented () const

Protected Methods

void write_input (int conv)
 Prepares a complete Psi input file. The input file is assumed to have been opened.


Detailed Description

PsiCCSD is a concrete implementation of Psi CCSD wave function.


Member Function Documentation

void sc::PsiCCSD::save_data_state StateOut   [virtual]
 

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::PsiWavefunction.


The documentation for this class was generated from the following file:
Generated at Fri Jan 10 08:15:57 2003 for MPQC 2.1.3 using the documentation package Doxygen 1.2.14.