nnp::IEwaldTrunc Class Reference

#include <IEwaldTrunc.h>

Inheritance diagram for nnp::IEwaldTrunc:

Public Member Functions
virtual void	calculateParameters (EwaldGlobalSettings const &settings, EwaldStructureData const &sData, EwaldParameters &params)=0
virtual bool	publishedNewCutoffs ()=0
virtual bool	isEstimateReliable (EwaldGlobalSettings const &settings, EwaldParameters const &params) const =0
virtual	~IEwaldTrunc ()=default

Detailed Description

Definition at line 63 of file IEwaldTrunc.h.

Constructor & Destructor Documentation

~IEwaldTrunc()

virtual nnp::IEwaldTrunc::~IEwaldTrunc ( )

virtualdefault

Member Function Documentation

calculateParameters()

virtual void nnp::IEwaldTrunc::calculateParameters ( EwaldGlobalSettings const &  settings, EwaldStructureData const &  sData, EwaldParameters &  params  )

pure virtual

Implemented in nnp::EwaldTruncJackson, nnp::EwaldTruncKolafaFixR, and nnp::EwaldTruncKolafaOptEta.

publishedNewCutoffs()

virtual bool nnp::IEwaldTrunc::publishedNewCutoffs ( )

pure virtual

Implemented in nnp::EwaldTruncJackson, nnp::EwaldTruncKolafaFixR, and nnp::EwaldTruncKolafaOptEta.

isEstimateReliable()

virtual bool nnp::IEwaldTrunc::isEstimateReliable ( EwaldGlobalSettings const &  settings, EwaldParameters const &  params  ) const

pure virtual

Implemented in nnp::EwaldTruncJackson, nnp::EwaldTruncKolafaOptEta, and nnp::EwaldTruncKolafaFixR.

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

• /home/runner/work/n2p2/n2p2/src/libnnp/IEwaldTrunc.h