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sc::PsiCCSD_T(3)                     MPQC                     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. Additional Inherited Members 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 Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Fri Feb 19 2016 sc::PsiCCSD_T(3)

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