Atomistics

What's Changed
* Add tests for orb model by jan-janssen in https://github.com/pyiron/atomistics/pull/424
* Bump jinja2 from 3.1.5 to 3.1.6 by dependabot in https://github.com/pyiron/atomistics/pull/430
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/443
* Bump spglib from 2.5.0 to 2.6.0 by dependabot in https://github.com/pyiron/atomistics/pull/445


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.2.3...atomistics-0.2.4

What's Changed
* Enable grace again by jan-janssen in https://github.com/pyiron/atomistics/pull/428
* Grace use standard dependencies by jan-janssen in https://github.com/pyiron/atomistics/pull/429
* Implement optimize volume by jan-janssen in https://github.com/pyiron/atomistics/pull/431
* Test quantum espresso with 3.12 by jan-janssen in https://github.com/pyiron/atomistics/pull/435
* Test grace with Python 3.12 by jan-janssen in https://github.com/pyiron/atomistics/pull/436
* Allow the user to specify the Filterclass by jan-janssen in https://github.com/pyiron/atomistics/pull/437
* Move grace download to separate step by jan-janssen in https://github.com/pyiron/atomistics/pull/438
* Use equation of state from ASE by jan-janssen in https://github.com/pyiron/atomistics/pull/439
* Ase enforce hydrostatic strain during volume optimization by jan-janssen in https://github.com/pyiron/atomistics/pull/441
* VASP optimize unit cell by jan-janssen in https://github.com/pyiron/atomistics/pull/440


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.2.2...atomistics-0.2.3

What's Changed
* Add structure optimization for sphinx by jan-janssen in https://github.com/pyiron/atomistics/pull/415
* Bump phonopy from 2.37.0 to 2.37.1 by dependabot in https://github.com/pyiron/atomistics/pull/416
* Correct the ecut value by samwaseda in https://github.com/pyiron/atomistics/pull/418
* Update pwtools to 1.3.0 by jan-janssen in https://github.com/pyiron/atomistics/pull/420
* Test debye model by jan-janssen in https://github.com/pyiron/atomistics/pull/419
* test phono workflow by jan-janssen in https://github.com/pyiron/atomistics/pull/421
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/422
* Bump phonopy from 2.37.1 to 2.38.0 by dependabot in https://github.com/pyiron/atomistics/pull/423
* Disable Grace by jan-janssen in https://github.com/pyiron/atomistics/pull/427
* Add support for VASP DFT code by jan-janssen in https://github.com/pyiron/atomistics/pull/425


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

What's Changed
* Bump pyiron-lammps from 0.3.2 to 0.3.3 by dependabot in https://github.com/pyiron/atomistics/pull/411
* Bump pyiron-lammps from 0.3.3 to 0.4.0 by dependabot in https://github.com/pyiron/atomistics/pull/412
* Add tests for grace by jan-janssen in https://github.com/pyiron/atomistics/pull/414
* Add interface for SphinxDFT code by jan-janssen in https://github.com/pyiron/atomistics/pull/413


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.2.0...atomistics-0.2.1

What's Changed
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/410
* Add additional file-based interface for LAMMPS by jan-janssen in https://github.com/pyiron/atomistics/pull/409


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.1.35...atomistics-0.2.0

What's Changed
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/390
* Fix read the docs by jan-janssen in https://github.com/pyiron/atomistics/pull/391
* Read the docs OS update by jan-janssen in https://github.com/pyiron/atomistics/pull/392
* Bump phonopy from 2.34.0 to 2.34.1 by dependabot in https://github.com/pyiron/atomistics/pull/393
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/394
* Bump phonopy from 2.34.1 to 2.35.0 by dependabot in https://github.com/pyiron/atomistics/pull/395
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/396
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/397
* Update ruff linter by jan-janssen in https://github.com/pyiron/atomistics/pull/398
* Bump phonopy from 2.35.0 to 2.36.0 by dependabot in https://github.com/pyiron/atomistics/pull/399
* Bump phonopy from 2.36.0 to 2.37.0 by dependabot in https://github.com/pyiron/atomistics/pull/400
* Update continuous integration environment by jan-janssen in https://github.com/pyiron/atomistics/pull/401
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/atomistics/pull/402
* Bump lxml from 5.3.0 to 5.3.1 by dependabot in https://github.com/pyiron/atomistics/pull/403
* Switch to codecov by jan-janssen in https://github.com/pyiron/atomistics/pull/404
* fix pip check for optional dependencies by jan-janssen in https://github.com/pyiron/atomistics/pull/405
* Bump pylammpsmpi from 0.2.26 to 0.2.30 by dependabot in https://github.com/pyiron/atomistics/pull/406
* Bump pylammpsmpi from 0.2.30 to 0.2.31 by dependabot in https://github.com/pyiron/atomistics/pull/408
* Bump scipy from 1.15.1 to 1.15.2 and structuretoolkit from 0.0.30 to 0.0.31 by dependabot in https://github.com/pyiron/atomistics/pull/407


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.1.34...atomistics-0.1.35