Pyiron-lammps

Latest version: v0.2.14

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0.2.2

What's Changed
* Add dependabot by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/27
* Extend test limits by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/30
* Update pympipool by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/28
* Bump pylammpsmpi from 0.2.1 to 0.2.2 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/34
* Bump pandas from 2.0.2 to 2.0.3 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/33
* Parallel energy volume curves by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/36
* Change default evcurve strain from 10% to 5% by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/37
* always return volume and energy as well by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/38
* fixes to debye class by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/29

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

**Full Changelog**: https://github.com/pyiron/pyiron_lammps/compare/pyiron_lammps-0.2.1...pyiron_lammps-0.2.2

0.2.1

What's Changed
* Add selective dynamics by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/4
* Parallel implementation by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/5
* update readme by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/7
* Create deploy.yml by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/9
* Update pympipool to 0.3.0 by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/13
* Implement new numpy like syntax by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/12
* Add coverage by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/14
* Update only LAMMPS by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/17
* update pandas by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/19
* For compatibility with pylammpsmpi by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/20
* Update Pympipool by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/21
* Update pympipool by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/22
* Update pandas by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/23
* Remove pathlib2 by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/24
* Move wrapper to pylammpsmpi by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/25
* Use structuretoolkit and ASE for structure generation by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/15
* Calculate energy volume curves by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/26


**Full Changelog**: https://github.com/pyiron/pyiron_lammps/commits/pyiron_lammps-0.2.1

0.2.0

What's Changed
* Add selective dynamics by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/4
* Parallel implementation by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/5
* update readme by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/7
* Create deploy.yml by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/9


**Full Changelog**: https://github.com/pyiron/pyiron_lammps/commits/pyiron_lammps-0.2.0

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