eOn 3.2.0
Long-timescale dynamics: aKMC, NEB, parallel replica
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NEBObjectiveFunction Member List
This is the complete list of members for
NEBObjectiveFunction
, including all inherited members.
degreesOfFreedom
()
NEBObjectiveFunction
virtual
difference
(const VectorXd &a, const VectorXd &b)
NEBObjectiveFunction
virtual
getConvergence
()
NEBObjectiveFunction
virtual
getEnergy
()
NEBObjectiveFunction
virtual
getGradient
(bool fdstep=false)
NEBObjectiveFunction
virtual
getMasses
() const override
NEBObjectiveFunction
virtual
getPeriodic
() const
eonc::ObjectiveFunction
inline
virtual
getPositions
()
NEBObjectiveFunction
virtual
gradientMatchesEnergy
() const override
NEBObjectiveFunction
inline
virtual
isConverged
()
NEBObjectiveFunction
virtual
isUncertain
()
NEBObjectiveFunction
knownCurvature
() const
eonc::ObjectiveFunction
inline
virtual
minimumImage
(Eigen::Ref< Eigen::Vector3d >) const
eonc::ObjectiveFunction
inline
virtual
neb
NEBObjectiveFunction
private
NEBObjectiveFunction
(NudgedElasticBand *nebPassed, const Parameters ¶metersPassed)
NEBObjectiveFunction
inline
ObjectiveFunction
(const Parameters ¶msPassed)
eonc::ObjectiveFunction
inline
params
eonc::ObjectiveFunction
protected
pastClimbCeiling
()
eonc::ObjectiveFunction
inline
virtual
reuseDisplacementCurvature
() const override
NEBObjectiveFunction
inline
virtual
setPositions
(const VectorXd &x)
NEBObjectiveFunction
virtual
status
NEBObjectiveFunction
supportsFiniteDifferenceCurvature
() const override
NEBObjectiveFunction
inline
virtual
~NEBObjectiveFunction
(void)
NEBObjectiveFunction
inline
~ObjectiveFunction
()
eonc::ObjectiveFunction
inline
virtual
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