| sc::CLHF(3) | MPQC | sc::CLHF(3) |
sc::CLHF - CLHF is a Hartree-Fock specialization of CLSCF.
#include <clhf.h>
Inherits sc::CLSCF.
CLHF (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
void ao_fock (double accuracy)
void two_body_deriv (double *)
CLHF is a Hartree-Fock specialization of CLSCF.
Implements sc::SCF.
Reimplemented from sc::Function.
Print information about the object.
Reimplemented from sc::MolecularEnergy.
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.
Implements sc::SCF.
Reimplemented from sc::SCF.
Information about the availability of values, gradients, and hessians.
Reimplemented from sc::Function.
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| Fri Dec 2 2022 | Version 2.3.1 |