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Man Pages


Manual Reference Pages  -  SC_HSOSHF (3)

NAME

sc::HSOSHF - HSOSHF is a Hartree-Fock specialization of HSOSSCF.

CONTENTS

Synopsis

SYNOPSIS

#include <hsoshf.h>

Inherits sc::HSOSSCF.

    Public Member Functions

    HSOSHF (StateIn &)    
HSOSHF (const Ref< KeyVal > &)    
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.     void print (std::ostream &o=ExEnv::out0()) const
Print information about the object.     void two_body_energy (double &ec, double &ex)    
int value_implemented () const
Information about the availability of values, gradients, and hessians.     int gradient_implemented () const

    Protected Member Functions

    void ao_fock (double accuracy)    
void two_body_deriv (double *)

    Additional Inherited Members

Detailed Description

HSOSHF is a Hartree-Fock specialization of HSOSSCF.

Member Function Documentation

void sc::HSOSHF::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::MolecularEnergy.

int sc::HSOSHF::value_implemented () const [virtual]

Information about the availability of values, gradients, and hessians.

Reimplemented from sc::Function.

Author

Generated automatically by Doxygen for MPQC from the source code.

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Version 2.3.1 SC::HSOSHF (3) Sun Apr 3 2016

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