nnp::EwaldGlobalSettings Struct Reference

#include <IEwaldTrunc.h>

Collaboration diagram for nnp::EwaldGlobalSettings:

Public Attributes
double	precision = 1.0E-6
double	maxCharge = 1.0
double	maxQSigma = 1.0
double	fourPiEps = 1.0
	Multiplicative constant \( 4 \pi \varepsilon_0 \).

Detailed Description

Definition at line 12 of file IEwaldTrunc.h.

Member Data Documentation

precision

double nnp::EwaldGlobalSettings::precision = 1.0E-6

Definition at line 14 of file IEwaldTrunc.h.

maxCharge

double nnp::EwaldGlobalSettings::maxCharge = 1.0

Definition at line 15 of file IEwaldTrunc.h.

maxQSigma

double nnp::EwaldGlobalSettings::maxQSigma = 1.0

Definition at line 16 of file IEwaldTrunc.h.

fourPiEps

double nnp::EwaldGlobalSettings::fourPiEps = 1.0

Multiplicative constant \( 4 \pi \varepsilon_0 \).

Value depends on unit system (e.g. normalization).

Definition at line 19 of file IEwaldTrunc.h.

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

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