eOn client
Long-timescale dynamics: aKMC, NEB, parallel replica
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eonc::NudgedElasticBand Member List
This is the complete list of members for
eonc::NudgedElasticBand
, including all inherited members.
atoms
eonc::NudgedElasticBand
baseline_force
eonc::NudgedElasticBand
private
ci_enabled_
eonc::NudgedElasticBand
private
climbingImage
eonc::NudgedElasticBand
compute
(void)
eonc::NudgedElasticBand
convergenceForce
(void)
eonc::NudgedElasticBand
E_ref
eonc::NudgedElasticBand
eigenmode_solvers
eonc::NudgedElasticBand
eonc::neb::OCINEBController
class
eonc::NudgedElasticBand
friend
extremumCurvature
eonc::NudgedElasticBand
extremumEnergy
eonc::NudgedElasticBand
extremumPosition
eonc::NudgedElasticBand
findExtrema
(void)
eonc::NudgedElasticBand
getStatus
()
eonc::NudgedElasticBand
inline
k_l
eonc::NudgedElasticBand
k_u
eonc::NudgedElasticBand
ksp
eonc::NudgedElasticBand
log
eonc::NudgedElasticBand
private
maxEnergyImage
eonc::NudgedElasticBand
movedAfterForceCall
eonc::NudgedElasticBand
NEBStatus
enum name
eonc::NudgedElasticBand
NudgedElasticBand
(std::shared_ptr< Matter > initialPassed, std::shared_ptr< Matter > finalPassed, const Parameters ¶metersPassed, std::shared_ptr< Potential > potPassed)
eonc::NudgedElasticBand
NudgedElasticBand
(std::vector< Matter > initPath, const Parameters ¶metersPassed, std::shared_ptr< Potential > potPassed)
eonc::NudgedElasticBand
numExtrema
eonc::NudgedElasticBand
numImages
eonc::NudgedElasticBand
params
eonc::NudgedElasticBand
private
path
eonc::NudgedElasticBand
pathFrames
(std::optional< size_t > bandIndex=std::nullopt)
eonc::NudgedElasticBand
perImagePotentials_
eonc::NudgedElasticBand
pot
eonc::NudgedElasticBand
private
printImageData
(bool writeToFile=false, size_t idx=0)
eonc::NudgedElasticBand
projectedForce
eonc::NudgedElasticBand
projectionStrat_
eonc::NudgedElasticBand
private
setCIEnabled
(bool enabled)
eonc::NudgedElasticBand
inline
status
eonc::NudgedElasticBand
private
tangent
eonc::NudgedElasticBand
tangentStrat_
eonc::NudgedElasticBand
private
updateForces
(bool ci_active)
eonc::NudgedElasticBand
updateForces
(void)
eonc::NudgedElasticBand
inline
~NudgedElasticBand
()=default
eonc::NudgedElasticBand
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