Atomistics

Latest version: v0.2.4

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0.0.5

What's Changed
* Add tests for abinit by jan-janssen in https://github.com/pyiron/atomistics/pull/23
* Fix import in debye module by jan-janssen in https://github.com/pyiron/atomistics/pull/25


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.0.4...atomistics-0.0.5

0.0.4

What's Changed
* Update structuretoolkit to 0.0.11 by jan-janssen in https://github.com/pyiron/atomistics/pull/18
* Split Workflows and Calculators by jan-janssen in https://github.com/pyiron/atomistics/pull/19
* Add interface for quantum espresso by jan-janssen in https://github.com/pyiron/atomistics/pull/21


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.0.3...atomistics-0.0.4

0.0.3

What's Changed
* Task dict describes what should be done with the structures by jan-janssen in https://github.com/pyiron/atomistics/pull/15
* Add quasi harmonic by jan-janssen in https://github.com/pyiron/atomistics/pull/16
* Add example notebooks by jan-janssen in https://github.com/pyiron/atomistics/pull/17


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.0.2...atomistics-0.0.3

0.0.2

What's Changed
* fix black formatting by jan-janssen in https://github.com/pyiron/atomistics/pull/3
* Merge main by jan-janssen in https://github.com/pyiron/atomistics/pull/5
* fix initialization by jan-janssen in https://github.com/pyiron/atomistics/pull/4
* Update scipy to 1.11.2 by jan-janssen in https://github.com/pyiron/atomistics/pull/11
* Add unit tests by jan-janssen in https://github.com/pyiron/atomistics/pull/10
* Merge pull request 10 from pyiron/unit_tests by jan-janssen in https://github.com/pyiron/atomistics/pull/13
* Add Phonopy interface by jan-janssen in https://github.com/pyiron/atomistics/pull/12
* Rename basis_ref to structure by jan-janssen in https://github.com/pyiron/atomistics/pull/14

New Contributors
* jan-janssen made their first contribution in https://github.com/pyiron/atomistics/pull/3

**Full Changelog**: https://github.com/pyiron/atomistics/commits/atomistics-0.0.2

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