#include <hsosks.h>
Inheritance diagram for sc::HSOSKS:
Public Member Functions | |
HSOSKS (StateIn &) | |
HSOSKS (const Ref< KeyVal > &) | |
This KeyVal constructor reads the following keywords:. | |
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 | |
RefSymmSCMatrix | cl_vxc () |
RefSymmSCMatrix | op_vxc () |
void | ao_fock (double accuracy) |
double | scf_energy () |
Ref< SCExtrapData > | extrap_data () |
RefSymmSCMatrix | effective_fock () |
void | init_vector () |
void | done_vector () |
void | two_body_deriv (double *) |
RefSymmSCMatrix | lagrangian () |
Protected Attributes | |
Ref< DenIntegrator > | integrator_ |
Ref< DenFunctional > | functional_ |
RefSymmSCMatrix | vxc_a_ |
RefSymmSCMatrix | vxc_b_ |
double | exc_ |
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This KeyVal constructor reads the following keywords:.
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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::HSOSSCF.
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