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