This provides an unrestricted Hartree-Fock implementation. More...
#include <uhf.h>
Public Member Functions | |
UHF (StateIn &) | |
UHF (const Ref< KeyVal > &) | |
The UHF KeyVal constructor reads no keywords. | |
void | save_data_state (StateOut &) |
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 *) |
This provides an unrestricted Hartree-Fock implementation.
int sc::UHF::value_implemented | ( | ) | const [virtual] |
Information about the availability of values, gradients, and hessians.
Reimplemented from sc::Function.