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Long-timescale dynamics: aKMC, NEB, parallel replica
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BGSDObjectiveFunction Member List
This is the complete list of members for
BGSDObjectiveFunction
, including all inherited members.
bgsdAlpha
BGSDObjectiveFunction
private
BGSDObjectiveFunction
(Matter &matterRef, double reactantEnergyPassed, double bgsdAlphaPassed, const Parameters ¶metersPassed)
BGSDObjectiveFunction
inline
degreesOfFreedom
()
BGSDObjectiveFunction
inline
virtual
difference
(const VectorXd &a, const VectorXd &b)
BGSDObjectiveFunction
inline
virtual
getConvergence
()
BGSDObjectiveFunction
inline
virtual
getConvergenceH
()
BGSDObjectiveFunction
inline
getConvergenceV
()
BGSDObjectiveFunction
inline
getEnergy
()
BGSDObjectiveFunction
inline
virtual
getGradient
(bool fdstep=false)
BGSDObjectiveFunction
inline
virtual
getGradientnorm
()
BGSDObjectiveFunction
inline
getPositions
()
BGSDObjectiveFunction
inline
virtual
isConverged
()
BGSDObjectiveFunction
inline
virtual
isConvergedH
()
BGSDObjectiveFunction
inline
isConvergedIP
()
BGSDObjectiveFunction
inline
isConvergedV
()
BGSDObjectiveFunction
inline
matter
BGSDObjectiveFunction
private
ObjectiveFunction
(const Parameters ¶msPassed)
eonc::ObjectiveFunction
inline
params
eonc::ObjectiveFunction
protected
reactantEnergy
BGSDObjectiveFunction
private
setPositions
(const VectorXd &x)
BGSDObjectiveFunction
inline
virtual
~BGSDObjectiveFunction
()=default
BGSDObjectiveFunction
~ObjectiveFunction
()
eonc::ObjectiveFunction
inline
virtual
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