sc::clhf(3)
NAME
sc::CLHF - CLHF is a Hartree-Fock specialization of CLSCF.
SYNOPSIS
#include <clhf.h> Inherits sc::CLSCF. Public Member Functions 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 Protected Member Functions void ao_fock (double accuracy) void two_body_deriv (double *)
Detailed Description
CLHF is a Hartree-Fock specialization of CLSCF.
Member Function Documentation
- void sc::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::CLSCF.
- int sc::CLHF::value_implemented () const [virtual]
- Information about the availability of values, gradients, and hessians.
- Reimplemented from sc::Function.
Author
- Generated automatically by Doxygen for MPQC from the source code.