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pyiron_contrib-0.1.16

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@pmrv pmrv released this 28 Mar 16:30
· 62 commits to main since this release
93d9cf1

This released moved all machine learning potential related job classes pyiron_potentialfit. Existing projects maybe converted by using the Project maintenance methods implemented in pyiron_base. Beware that this can take a significant amount of time when converting a large number of jobs. You can speed this up a lot by specifying which job type to look for when calling the maintenance functions. For example to update all Mlip jobs you may call

pr = Project(...)
pr.maintenance.local.update_hdf_types(hamilton='Mlip')

What's Changed

Full Changelog: pyiron_contrib-0.1.15...pyiron_contrib-0.1.16