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pyiron / potential_publication

Repository for workflows associated with potentials publication
BSD 3-Clause "New" or "Revised" License
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add eam fitting #11

Open Leimeroth opened 4 months ago

Leimeroth commented 4 months ago

Requires https://github.com/pyiron/pyiron_base/pull/1411, https://github.com/pyiron/pyiron_potentialfit/pull/61 and https://gitlab.com/atomicrex/atomicrex/-/merge_requests/51 to work as is, but removes the necessity to sort structures based on species.

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