sc::CLHF - CLHF is a Hartree-Fock specialization of CLSCF.
Contents
Detailed Description
CLHF is a Hartree-Fock specialization of CLSCF.
Member Function Documentation
voidsc::CLHF::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.
Name
sc::CLHF - CLHF is a Hartree-Fock specialization of CLSCF.
Synopsis
#include <clhf.h>
Inherits sc::CLSCF.
PublicMemberFunctionsCLHF (StateIn &)
CLHF (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
ProtectedMemberFunctions
void ao_fock (double accuracy)
void two_body_deriv (double *)
AdditionalInheritedMembers