ERKALE
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convergence_t Struct Reference

Convergence criteria. More...

#include <scf.h>

Public Attributes

double deltaEmax
 Convergence criterion for change of energy.
 
double deltaPmax
 Convergence criterion for maximum change of an element of the density matrix.
 
double deltaPrms
 Convergence criterion for the RMS change of the density matrix.
 

Detailed Description

Convergence criteria.


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