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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.

Generated automatically by Doxygen for MPQC from the source code.
Tue Jun 7 2022 Version 2.3.1

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