29 #ifndef _chemistry_qc_dft_hsosks_h 30 #define _chemistry_qc_dft_hsosks_h 36 #include <chemistry/qc/scf/hsosscf.h> 37 #include <chemistry/qc/dft/integrator.h> 38 #include <chemistry/qc/dft/functional.h> 81 void two_body_energy(
double &ec,
double &ex);
84 int gradient_implemented()
const;
87 void ao_fock(
double accuracy);
96 void two_body_deriv(
double*);
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
The HSOSSCF class is a base for classes implementing a self-consistent procedure for high-spin open-s...
Definition: hsosscf.h:43
Serializes objects that derive from SavableState.
Definition: stateout.h:61
A template class that maintains references counts.
Definition: ref.h:332
The RefSymmSCMatrix class is a smart pointer to an SCSymmSCMatrix specialization. ...
Definition: matrix.h:261
Restores objects that derive from SavableState.
Definition: statein.h:70
static std::ostream & out0()
Return an ostream that writes from node 0.
void print(std::ostream &o=ExEnv::out0()) const
Print information about the object.
int value_implemented() const
Information about the availability of values, gradients, and hessians.
This provides a Kohn-Sham implementation for restricted-orbital high-spin open-shell systems...
Definition: hsosks.h:48