Provided by: libsc-doc_2.3.1-22_all
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::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.
Author
Generated automatically by Doxygen for MPQC from the source code.