| sc::SelfConsistentExtrapolation(3) | MPQC | sc::SelfConsistentExtrapolation(3) |
sc::SelfConsistentExtrapolation - The SelfConsistentExtrapolation abstract class is used to iteratively solve equations requiring a self consistent solution, such as,.
#include <scextrap.h>
Inherits sc::SavableState.
Inherited by sc::DIIS.
SelfConsistentExtrapolation (StateIn &)
SelfConsistentExtrapolation (const Ref< KeyVal >
&)
The only keyword read is #tolerance#, which is usually not needed since the
objects using SelfConsistentExtrapolation should set the tolerances
as needed. 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 set_tolerance
(double t)
double tolerance ()
double error ()
int converged ()
virtual int extrapolate (const Ref< SCExtrapData >
&data, const Ref< SCExtrapError > &error)=0
virtual void start_extrapolation ()
virtual void reinitialize ()=0
void set_error (double e)
The SelfConsistentExtrapolation abstract class is used to iteratively solve equations requiring a self consistent solution, such as,.
The only keyword read is #tolerance#, which is usually not needed since the objects using SelfConsistentExtrapolation should set the tolerances as needed.
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::SavableState.
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| Sun Oct 4 2020 | Version 2.3.1 |