sc::HSOSHF

NAME

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

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::ao_fock (double accuracy) [protected], [virtual]

Implements sc::SCF.

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

Reimplemented from sc::Function.

void sc::HSOSHF::print (std::ostream & = ExEnv::out0()) const [virtual]

Print information about the object.

Reimplemented from sc::MolecularEnergy.

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.

void sc::HSOSHF::two_body_deriv (double *) [protected], [virtual]

Implements sc::SCF.

void sc::HSOSHF::two_body_energy (double & ec, double & ex) [virtual]

Reimplemented from sc::SCF.

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

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

Reimplemented from sc::Function.

Author

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