Atomistics

Latest version: v0.1.34

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0.1.34

What's Changed
* Update scipy to 1.15.1 by jan-janssen in https://github.com/pyiron/atomistics/pull/389


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.1.33...atomistics-0.1.34

0.1.33

What's Changed
* Bump pylammpsmpi from 0.2.23 to 0.2.24 by dependabot in https://github.com/pyiron/atomistics/pull/329
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/330
* Remove conda default channel by jan-janssen in https://github.com/pyiron/atomistics/pull/332
* Bump pylammpsmpi from 0.2.24 to 0.2.25 by dependabot in https://github.com/pyiron/atomistics/pull/331
* Implement Executor interface by jan-janssen in https://github.com/pyiron/atomistics/pull/333
* Use a single ProcessPoolExecutor by jan-janssen in https://github.com/pyiron/atomistics/pull/334
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/335
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/337
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/340
* Bump pandas from 2.2.2 to 2.2.3 by dependabot in https://github.com/pyiron/atomistics/pull/341
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/342
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/343
* Bump mendeleev from 0.17.0 to 0.18.0 by dependabot in https://github.com/pyiron/atomistics/pull/344
* Bump mendeleev from 0.18.0 to 0.18.1 by dependabot in https://github.com/pyiron/atomistics/pull/346
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/348
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/349
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/353
* Bump tqdm from 4.66.5 to 4.66.6 by dependabot in https://github.com/pyiron/atomistics/pull/352
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/355
* Bump tqdm from 4.66.6 to 4.67.0 by dependabot in https://github.com/pyiron/atomistics/pull/356
* Bump mendeleev from 0.18.1 to 0.19.0 by dependabot in https://github.com/pyiron/atomistics/pull/357
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/358
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/361
* Bump pylammpsmpi from 0.2.25 to 0.2.26 by dependabot in https://github.com/pyiron/atomistics/pull/362
* Bump tqdm from 4.67.0 to 4.67.1 by dependabot in https://github.com/pyiron/atomistics/pull/365
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/363
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/367
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/370
* Add auto merge by jan-janssen in https://github.com/pyiron/atomistics/pull/372
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/375
* Bump jinja2 from 3.1.4 to 3.1.5 by dependabot in https://github.com/pyiron/atomistics/pull/379
* Bump phonopy from 2.26.6 to 2.33.3 by dependabot in https://github.com/pyiron/atomistics/pull/376
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/377
* Bump phonopy from 2.33.3 to 2.33.4 by dependabot in https://github.com/pyiron/atomistics/pull/382
* Bump phonopy from 2.33.4 to 2.34.0 by dependabot in https://github.com/pyiron/atomistics/pull/383
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/386
* Update structuretoolkit to 0.0.29 by jan-janssen in https://github.com/pyiron/atomistics/pull/388
* Bump ase from 3.23.0 to 3.24.0 by dependabot in https://github.com/pyiron/atomistics/pull/380
* Bump scipy from 1.14.1 to 1.15.0 by dependabot in https://github.com/pyiron/atomistics/pull/385


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.1.32...atomistics-0.1.33

0.1.32

What's Changed
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/298
* Bump phonopy from 2.26.3 to 2.26.5 by dependabot in https://github.com/pyiron/atomistics/pull/299
* Update pymace to 0.3.6 by jan-janssen in https://github.com/pyiron/atomistics/pull/300
* Bump pylammpsmpi from 0.2.20 to 0.2.21 by dependabot in https://github.com/pyiron/atomistics/pull/301
* Bump phonopy from 2.26.5 to 2.26.6 by dependabot in https://github.com/pyiron/atomistics/pull/302
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/303
* Update dynaphopy to 1.17.16 by jan-janssen in https://github.com/pyiron/atomistics/pull/306
* Bump pylammpsmpi from 0.2.21 to 0.2.22 by dependabot in https://github.com/pyiron/atomistics/pull/307
* Test MACE with Python 3.12 by jan-janssen in https://github.com/pyiron/atomistics/pull/310
* Update LAMMPS to 2024.06.27 by jan-janssen in https://github.com/pyiron/atomistics/pull/309
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/313
* Merge main by jan-janssen in https://github.com/pyiron/atomistics/pull/315
* Provide functions for reference data by jan-janssen in https://github.com/pyiron/atomistics/pull/312
* Bump pylammpsmpi from 0.2.22 to 0.2.23 by dependabot in https://github.com/pyiron/atomistics/pull/314
* Use Github Co-pilot to add Docstrings and Type Hints by jan-janssen in https://github.com/pyiron/atomistics/pull/316
* Bump tqdm from 4.66.4 to 4.66.5 by dependabot in https://github.com/pyiron/atomistics/pull/317
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/318
* Bump lxml from 5.2.2 to 5.3.0 by dependabot in https://github.com/pyiron/atomistics/pull/322
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/321
* Add guide for potential installation by samwaseda in https://github.com/pyiron/atomistics/pull/320
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/325
* Bump scipy from 1.14.0 to 1.14.1 by dependabot in https://github.com/pyiron/atomistics/pull/327

New Contributors
* samwaseda made their first contribution in https://github.com/pyiron/atomistics/pull/320

**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.1.31...atomistics-0.1.32

0.1.31

What's Changed
* Bump pylammpsmpi from 0.2.19 to 0.2.20 by dependabot in https://github.com/pyiron/atomistics/pull/287
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/289
* Bump phonopy from 2.24.3 to 2.25.0 by dependabot in https://github.com/pyiron/atomistics/pull/288
* Add import sorting to ruff by jan-janssen in https://github.com/pyiron/atomistics/pull/290
* Update conda-incubator/setup-miniconda from v2 to v3 by jan-janssen in https://github.com/pyiron/atomistics/pull/292
* Bump phonopy from 2.25.0 to 2.26.2 by dependabot in https://github.com/pyiron/atomistics/pull/294
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/293
* Bump phonopy from 2.26.2 to 2.26.3 by dependabot in https://github.com/pyiron/atomistics/pull/295
* Bump spglib from 2.4.0 to 2.5.0 by dependabot in https://github.com/pyiron/atomistics/pull/296
* Bump structuretoolkit from 0.0.26 to 0.0.27 by dependabot in https://github.com/pyiron/atomistics/pull/297


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.1.30...atomistics-0.1.31

0.1.30

What's Changed
* Fix CI for stacked pull requests by jan-janssen in https://github.com/pyiron/atomistics/pull/272
* Bump structuretoolkit from 0.0.23 to 0.0.24 by dependabot in https://github.com/pyiron/atomistics/pull/274
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/273
* Bump gpaw from 24.1.0 to 24.6.0 by dependabot in https://github.com/pyiron/atomistics/pull/275
* Bump phonopy from 2.23.1 to 2.24.1 by dependabot in https://github.com/pyiron/atomistics/pull/276
* Update matgl to 1.1.2 by jan-janssen in https://github.com/pyiron/atomistics/pull/277
* Bump phonopy from 2.24.1 to 2.24.2 by dependabot in https://github.com/pyiron/atomistics/pull/279
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/278
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/281
* Bump phonopy from 2.24.2 to 2.24.2.post1 by dependabot in https://github.com/pyiron/atomistics/pull/283
* Bump structuretoolkit from 0.0.24 to 0.0.25 by dependabot in https://github.com/pyiron/atomistics/pull/284
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/285
* Bump scipy from 1.13.1 to 1.14.0 by dependabot in https://github.com/pyiron/atomistics/pull/286


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.1.29...atomistics-0.1.30

0.1.29

What's Changed
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/268
* Fix dependence on phonolammps by jan-janssen in https://github.com/pyiron/atomistics/pull/269
* Bump pylammpsmpi from 0.2.18 to 0.2.19 by dependabot in https://github.com/pyiron/atomistics/pull/270
* Bump ase from 3.22.1 to 3.23.0 by dependabot in https://github.com/pyiron/atomistics/pull/271

New Contributors
* pre-commit-ci made their first contribution in https://github.com/pyiron/atomistics/pull/268

**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.1.28...atomistics-0.1.29

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