table of contents
sc::TCHF(3) | MPQC | sc::TCHF(3) |
NAME¶
sc::TCHF
SYNOPSIS¶
Inherits sc::TCSCF.
Public Member Functions¶
TCHF (StateIn &)
TCHF (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¶
Member Function Documentation¶
void sc::TCHF::ao_fock (double accuracy) [protected], [virtual]¶
Implements sc::SCF.
int sc::TCHF::gradient_implemented () const [virtual]¶
Reimplemented from sc::Function.
void sc::TCHF::print (std::ostream & = ExEnv::out0()) const [virtual]¶
Print information about the object.
Reimplemented from sc::SCF.
void sc::TCHF::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::SCF.
void sc::TCHF::two_body_deriv (double *) [protected], [virtual]¶
Implements sc::SCF.
void sc::TCHF::two_body_energy (double & ec, double & ex) [virtual]¶
Reimplemented from sc::SCF.
int sc::TCHF::value_implemented () const [virtual]¶
Information about the availability of values, gradients, and hessians.
Reimplemented from sc::Function.
Author¶
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Fri Dec 2 2022 | Version 2.3.1 |