28 #ifndef _math_optimize_diis_h 29 #define _math_optimize_diis_h 35 #include <math/optimize/scextrap.h> 47 double damping_factor;
63 DIIS(
int strt=1,
int ndi=5,
double dmp =0,
int ngr=1,
int ngrdiis=1);
98 void start_extrapolation();
Serializes objects that derive from SavableState.
Definition: stateout.h:61
A template class that maintains references counts.
Definition: ref.h:332
The DIIS class provides DIIS extrapolation.
Definition: diis.h:40
Restores objects that derive from SavableState.
Definition: statein.h:70
void print(std::ostream &=ExEnv::out0()) const
Override DescribedClass::print.
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
static std::ostream & out0()
Return an ostream that writes from node 0.