SCM-NV/pyZacros

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

Closed this issue · 1 comments

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' )

I fixed this in the last commit