EdiffCheck Class Reference

Energy difference convergence check. More...

#include <Minimize.h>

Inheritance diagram for EdiffCheck:

Public Member Functions
	EdiffCheck (unsigned nDiff, double threshold)
	Energy change within threshold nDiff consecutive times.
bool	checkConvergence (double E)
	Given new energy, and based on past history of calls, return whether convergence has been achieved.

Detailed Description

Energy difference convergence check.

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The documentation for this class was generated from the following file:

• core/Minimize.h