Atomistics

What's Changed
* Update setup for publishing README on pypi by jan-janssen in https://github.com/pyiron/atomistics/pull/60


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.1.0...atomistics-0.1.1

What's Changed
* Simplify import by jan-janssen in https://github.com/pyiron/atomistics/pull/56
* First version of the documentation by jan-janssen in https://github.com/pyiron/atomistics/pull/57
* Rename calculators to workflows by jan-janssen in https://github.com/pyiron/atomistics/pull/58
* Update Documentation by jan-janssen in https://github.com/pyiron/atomistics/pull/59


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.0.7...atomistics-0.1.0

What's Changed
* Update pylammpsmpi to 0.2.3 by jan-janssen in https://github.com/pyiron/atomistics/pull/44
* Use Coveralls Github action by jan-janssen in https://github.com/pyiron/atomistics/pull/46
* Add calculator for siesta by jan-janssen in https://github.com/pyiron/atomistics/pull/24
* Call LAMMPS with explicit arguments to clarify the task conversion by jan-janssen in https://github.com/pyiron/atomistics/pull/49
* Tests: Rename `structure_dict` to `task_dict` by jan-janssen in https://github.com/pyiron/atomistics/pull/51
* Add minimal test environment by jan-janssen in https://github.com/pyiron/atomistics/pull/53
* Fix LAMMPS unit tests by jan-janssen in https://github.com/pyiron/atomistics/pull/52
* Add langevin by jan-janssen in https://github.com/pyiron/atomistics/pull/54
* Implement structure optimization protocol by jan-janssen in https://github.com/pyiron/atomistics/pull/50


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.0.6...atomistics-0.0.7

What's Changed
* Implement new ASE based interface by jan-janssen in https://github.com/pyiron/atomistics/pull/26
* Combine LAMMPS test and EMT test by jan-janssen in https://github.com/pyiron/atomistics/pull/30
* Add the centralized pr-labeled workflow for running black formatting by liamhuber in https://github.com/pyiron/atomistics/pull/34
* Abstract calculator by liamhuber in https://github.com/pyiron/atomistics/pull/33
* Bump gpaw from 23.6.1 to 23.9.1 by dependabot in https://github.com/pyiron/atomistics/pull/39
* Bump scipy from 1.11.2 to 1.11.3 by dependabot in https://github.com/pyiron/atomistics/pull/40
* Bump spglib from 2.0.2 to 2.1.0 by dependabot in https://github.com/pyiron/atomistics/pull/32
* Bump numpy from 1.23.5 to 1.26.0 by dependabot in https://github.com/pyiron/atomistics/pull/38
* Merge main by jan-janssen in https://github.com/pyiron/atomistics/pull/43
* Update versioneer to 0.29 by jan-janssen in https://github.com/pyiron/atomistics/pull/41

New Contributors
* liamhuber made their first contribution in https://github.com/pyiron/atomistics/pull/34
* dependabot made their first contribution in https://github.com/pyiron/atomistics/pull/39

**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.0.5...atomistics-0.0.6

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

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