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NudgedElasticBand Member List

This is the complete list of members for NudgedElasticBand, including all inherited members.

atomsNudgedElasticBand
baseline_forceNudgedElasticBandprivate
ci_enabled_NudgedElasticBandprivate
climbingImageNudgedElasticBand
compute(void)NudgedElasticBand
convergenceForce(void)NudgedElasticBand
E_refNudgedElasticBand
eigenmode_solversNudgedElasticBand
eonc::neb::OCINEBController classNudgedElasticBandfriend
extremumCurvatureNudgedElasticBand
extremumEnergyNudgedElasticBand
extremumPositionNudgedElasticBand
findExtrema(void)NudgedElasticBand
getStatus()NudgedElasticBandinline
k_lNudgedElasticBand
k_uNudgedElasticBand
kspNudgedElasticBand
logNudgedElasticBandprivate
maxEnergyImageNudgedElasticBand
movedAfterForceCallNudgedElasticBand
NEBStatus enum nameNudgedElasticBand
NudgedElasticBand(std::shared_ptr< Matter > initialPassed, std::shared_ptr< Matter > finalPassed, const Parameters &parametersPassed, std::shared_ptr< Potential > potPassed)NudgedElasticBand
NudgedElasticBand(std::vector< Matter > initPath, const Parameters &parametersPassed, std::shared_ptr< Potential > potPassed)NudgedElasticBand
numExtremaNudgedElasticBand
numImagesNudgedElasticBand
paramsNudgedElasticBandprivate
pathNudgedElasticBand
pathFrames(std::optional< size_t > bandIndex=std::nullopt)NudgedElasticBand
perImagePotentials_NudgedElasticBand
potNudgedElasticBandprivate
printImageData(bool writeToFile=false, size_t idx=0)NudgedElasticBand
projectedForceNudgedElasticBand
projectionStrat_NudgedElasticBandprivate
setCIEnabled(bool enabled)NudgedElasticBandinline
statusNudgedElasticBandprivate
tangentNudgedElasticBand
tangentStrat_NudgedElasticBandprivate
updateForces(bool ci_active)NudgedElasticBand
updateForces(void)NudgedElasticBandinline
~NudgedElasticBand()=defaultNudgedElasticBand