Public Member Functions | Protected Member Functions

sc::HSOSHF Class Reference

HSOSHF is a Hartree-Fock specialization of HSOSSCF. More...

#include <hsoshf.h>

Inheritance diagram for sc::HSOSHF:
sc::HSOSSCF sc::SCF sc::OneBodyWavefunction sc::Wavefunction sc::MolecularEnergy sc::Function sc::SavableState sc::Compute sc::DescribedClass sc::RefCount sc::Identity

List of all members.

Public Member Functions

 HSOSHF (StateIn &)
 HSOSHF (const Ref< KeyVal > &)
void save_data_state (StateOut &)
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 *)

Detailed Description

HSOSHF is a Hartree-Fock specialization of HSOSSCF.

Member Function Documentation

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

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

Reimplemented from sc::Function.

The documentation for this class was generated from the following file:
Generated at Mon Mar 7 2011 15:01:25 for MPQC 2.3.1 using the documentation package Doxygen 1.7.1.