28 #ifndef _chemistry_qc_dft_clks_h 29 #define _chemistry_qc_dft_clks_h 35 #include <chemistry/qc/scf/clscf.h> 36 #include <chemistry/qc/dft/integrator.h> 37 #include <chemistry/qc/dft/functional.h> 75 void two_body_energy(
double &ec,
double &ex);
78 int gradient_implemented()
const;
82 void ao_fock(
double accuracy);
91 void two_body_deriv(
double*);
RefSymmSCMatrix density()
Returns the SO density.
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
This provides a Kohn-Sham implementation for closed-shell systems.
Definition: clks.h:46
Restores objects that derive from SavableState.
Definition: statein.h:70
static std::ostream & out0()
Return an ostream that writes from node 0.
The CLSCF class is a base for classes implementing a self-consistent procedure for closed-shell molec...
Definition: clscf.h:43
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
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.