Remove sett.KMCOutput.path, add KMCJob(name='Zacros')

SCM-NV / pyZacros

Python Library for Automating Zacros Simulations

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Remove sett.KMCOutput.path, add KMCJob(name='Zacros') #45

Closed lopeztarifa closed 4 years ago

lopeztarifa commented 4 years ago

In order to get more aligned to PLAMS job class, the sett.KMCOutput.path will be moved from KMCSettings and added to KMCJob as attribute:

job = KMCJob( lattice=loader.lattice, clusters=loader.clusters,
 mechanism=loader.mechanism, initialState=initialState,
settings=settings, name='ZACROS' )

nfaguirrec commented 4 years ago

I fixed this in the last commit