sc::PsiCCSD_T(3)

NAME
sc::PsiCCSD_T -

PsiCCSD_T is a concrete implementation of Psi CCSD(T) wave function'.

SYNOPSIS

#include <psiwfn.h>

Inherits sc::PsiWavefunction'.

  Public Member Functions
PsiCCSD_T (const Ref< KeyVal > &)
PsiCCSD_T (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'.

Detailed Description

PsiCCSD_T is a concrete implementation of Psi CCSD(T) wave function'.

Member Function Documentation

  void sc::PsiCCSD_T::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'.

Author

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