sc::PsiCCSD Class Reference

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

#include <psiwfn.h>

Inheritance diagram for sc::PsiCCSD:

[legend]Collaboration diagram for sc::PsiCCSD:

[legend]List of all members.

Public Member Functions
	PsiCCSD (const Ref< KeyVal > &)
	PsiCCSD (StateIn &)
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.
int	spin_polarized ()
	Return 1 if the alpha density is not equal to the beta density.
int	gradient_implemented () const
Protected Member Functions
void	write_input (int conv)
	Prepares a complete Psi input file. The input file is assumed to have been opened.

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Detailed Description

PsiCCSD is a concrete implementation of Psi CCSD wave function.

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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.

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The documentation for this class was generated from the following file:

• psiwfn.h

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