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| sc::OSSHF(3) | MPQC | sc::OSSHF(3) |
NAME
sc::OSSHFSYNOPSIS
Inherits sc::OSSSCF.
Public Member Functions
OSSHF (StateIn &)
OSSHF (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::OSSHF::ao_fock (double accuracy) [protected], [virtual]
Implements sc::SCF.int sc::OSSHF::gradient_implemented () const [virtual]
Reimplemented from sc::Function.void sc::OSSHF::print (std::ostream & = ExEnv::out0()) const [virtual]
Print information about the object.Reimplemented from sc::MolecularEnergy.
void sc::OSSHF::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.
void sc::OSSHF::two_body_deriv (double *) [protected], [virtual]
Implements sc::SCF.void sc::OSSHF::two_body_energy (double & ec, double & ex) [virtual]
Reimplemented from sc::SCF.int sc::OSSHF::value_implemented () const [virtual]
Information about the availability of values, gradients, and hessians.Reimplemented from sc::Function.
Author
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