n2p2 - A neural network potential package
nnp::EwaldSetup Member List

This is the complete list of members for nnp::EwaldSetup, including all inherited members.

calculateParameters(double const newVolume, size_t const newNumAtoms)nnp::EwaldSetup
EwaldSetup()nnp::EwaldSetup
getMaxCharge() constnnp::EwaldSetupinline
getPrecision() constnnp::EwaldSetupinline
getTruncMethod() constnnp::EwaldSetupinline
GlobSettnnp::EwaldSetupprivate
isEstimateReliable() constnnp::EwaldSetupprivate
logEwaldCutoffs(Log &log, double const lengthConversion) constnnp::EwaldSetup
paramsnnp::EwaldSetup
publishedNewCutoffs() constnnp::EwaldSetupprivate
readFromArgs(std::vector< std::string > const &args)nnp::EwaldSetup
setMaxQSigma(double const maxWidth)nnp::EwaldSetupinline
setTruncMethod(EWALDTruncMethod const m)nnp::EwaldSetupinline
toNormalizedUnits(double const convEnergy, double const convLength)nnp::EwaldSetup
truncImplnnp::EwaldSetupprivate
truncMethodnnp::EwaldSetupprivate