eOn client
Long-timescale dynamics: aKMC, NEB, parallel replica
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ReplicaDynamicsJob Member List
This is the complete list of members for
ReplicaDynamicsJob
, including all inherited members.
checkState
(Matter *current, Matter *reactant)
ReplicaDynamicsJob
protected
current
ReplicaDynamicsJob
protected
dephase
()
ReplicaDynamicsJob
protected
dephaseFCalls
ReplicaDynamicsJob
protected
dynamics
()=0
ReplicaDynamicsJob
protected
pure virtual
finalState
ReplicaDynamicsJob
protected
finalStateTmp
ReplicaDynamicsJob
protected
initExtra
()
ReplicaDynamicsJob
inline
protected
virtual
Job
(std::unique_ptr< Parameters > parameters)
ReplicaDynamicsJob
inline
Job
(std::shared_ptr< Potential > potPassed, const Parameters ¶meters)
ReplicaDynamicsJob
inline
log
ReplicaDynamicsJob
protected
mdFCalls
ReplicaDynamicsJob
protected
metaStateFlag
ReplicaDynamicsJob
protected
minCorrectedTime
ReplicaDynamicsJob
protected
minimizeFCalls
ReplicaDynamicsJob
protected
newStateFlag
ReplicaDynamicsJob
protected
product
ReplicaDynamicsJob
protected
reactant
ReplicaDynamicsJob
protected
refine
(const std::vector< std::shared_ptr< Matter > > &buff, Matter *reactant)
ReplicaDynamicsJob
protected
refineFCalls
ReplicaDynamicsJob
protected
reportResults
()
ReplicaDynamicsJob
inline
protected
virtual
returnFiles
ReplicaDynamicsJob
protected
run
() override
ReplicaDynamicsJob
virtual
runFromMatter
(std::shared_ptr< Matter > initial)
ReplicaDynamicsJob
saddle
ReplicaDynamicsJob
protected
saveData
(int status)
ReplicaDynamicsJob
protected
time
ReplicaDynamicsJob
protected
transitionStep
ReplicaDynamicsJob
protected
transitionTime
ReplicaDynamicsJob
protected
~ReplicaDynamicsJob
() override=default
ReplicaDynamicsJob
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