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pyiron / pyiron_atomistics

pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
https://pyiron-atomistics.readthedocs.io
BSD 3-Clause "New" or "Revised" License
44 stars 15 forks source link

Create dataclasses for calc_minimize() and calc_md() #1571

Open jan-janssen opened 2 months ago

coveralls commented 2 months ago

Pull Request Test Coverage Report for Build 11014247218

Details

Totals Coverage Status
Change from base Build 11002650205: 0.0%
Covered Lines: 10777
Relevant Lines: 15201
💛 - Coveralls