28 #ifndef _chemistry_qc_scf_hsoshf_h 29 #define _chemistry_qc_scf_hsoshf_h 35 #include <chemistry/qc/scf/hsosscf.h> 52 void two_body_energy(
double &ec,
double &ex);
55 int gradient_implemented()
const;
58 void ao_fock(
double accuracy);
59 void two_body_deriv(
double*);
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
HSOSHF is a Hartree-Fock specialization of HSOSSCF.
Definition: hsoshf.h:42
Restores objects that derive from SavableState.
Definition: statein.h:70
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.
static std::ostream & out0()
Return an ostream that writes from node 0.
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...