Atomistics

What's Changed
* update docs theme by jan-janssen in https://github.com/pyiron/atomistics/pull/197
* Update matgl to 0.9.2 by jan-janssen in https://github.com/pyiron/atomistics/pull/198
* Update mybinder environment by jan-janssen in https://github.com/pyiron/atomistics/pull/201
* Update lammps to 2023.11.21 by jan-janssen in https://github.com/pyiron/atomistics/pull/200
* Update spglib 2.3.0 by jan-janssen in https://github.com/pyiron/atomistics/pull/199


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.1.21...atomistics-0.1.22

What's Changed
* Cache by jan-janssen in https://github.com/pyiron/atomistics/pull/172
* Condense engine by liamhuber in https://github.com/pyiron/atomistics/pull/170
* Continue to condense engines by jan-janssen in https://github.com/pyiron/atomistics/pull/175
* remove get_thermal_expansion() by jan-janssen in https://github.com/pyiron/atomistics/pull/177
* Migrate the minimal tests and the siesta tests to Python 3.12 by jan-janssen in https://github.com/pyiron/atomistics/pull/179
* Rename output parameter to output_keys by jan-janssen in https://github.com/pyiron/atomistics/pull/180
* Rename fields() to keys() by jan-janssen in https://github.com/pyiron/atomistics/pull/182
* Introduce get_thermal_expansion_output() function by jan-janssen in https://github.com/pyiron/atomistics/pull/183
* Initialise Output classes only in the functions by jan-janssen in https://github.com/pyiron/atomistics/pull/184
* Bump gpaw from 23.9.1 to 24.1.0 by dependabot in https://github.com/pyiron/atomistics/pull/185
* Define output classes based on instances rather than classes by jan-janssen in https://github.com/pyiron/atomistics/pull/186
* Output: Call get() function with parameter names by jan-janssen in https://github.com/pyiron/atomistics/pull/187
* ASE: rename internal helper function for MD by jan-janssen in https://github.com/pyiron/atomistics/pull/188
* Delete .github/delete-merged-branch-config.yml by jan-janssen in https://github.com/pyiron/atomistics/pull/191
* Bump jinja2 from 3.1.2 to 3.1.3 by dependabot in https://github.com/pyiron/atomistics/pull/192
* Add mace as another test by jan-janssen in https://github.com/pyiron/atomistics/pull/193
* Update pandas to 2.2.0 by jan-janssen in https://github.com/pyiron/atomistics/pull/194
* Fix broken links in readme by jan-janssen in https://github.com/pyiron/atomistics/pull/196
* Update scipy to 1.12.0 by jan-janssen in https://github.com/pyiron/atomistics/pull/195


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.1.20...atomistics-0.1.21

What's Changed
* Update numpy to 1.26.3 by jan-janssen in https://github.com/pyiron/atomistics/pull/171


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.1.19...atomistics-0.1.20

What's Changed
* ElasticMatrix: extend tests for LAMMPS by jan-janssen in https://github.com/pyiron/atomistics/pull/153
* ElasticMatrix: Implement Output Properties by jan-janssen in https://github.com/pyiron/atomistics/pull/152
* EV curve / Debye - use thermal properties to calculate thermal expansion by jan-janssen in https://github.com/pyiron/atomistics/pull/154
* Energy Volume Curve: Define output class by jan-janssen in https://github.com/pyiron/atomistics/pull/156
* Calculate volume in calc_static() and calc_md() by jan-janssen in https://github.com/pyiron/atomistics/pull/158
* Add calc_molecular_dynamics_thermal_expansion_with_ase() by jan-janssen in https://github.com/pyiron/atomistics/pull/159
* Phonopy: Fix get_dynamical_matrix() by jan-janssen in https://github.com/pyiron/atomistics/pull/160
* Elastic Workflow: Rename elastic moduls by jan-janssen in https://github.com/pyiron/atomistics/pull/162
* Phonopy: Introduce dataclass by jan-janssen in https://github.com/pyiron/atomistics/pull/161
* ElasticMatrixWorkflow: refactor by jan-janssen in https://github.com/pyiron/atomistics/pull/163
* QuasiHarmonicWorkflow: refactor by jan-janssen in https://github.com/pyiron/atomistics/pull/164


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.1.18...atomistics-0.1.19

What's Changed
* rename quantities to output by jan-janssen in https://github.com/pyiron/atomistics/pull/144
* Matgl: Test universal machine learning potential by jan-janssen in https://github.com/pyiron/atomistics/pull/148
* Add example for ASE LAMMPS interface by jan-janssen in https://github.com/pyiron/atomistics/pull/151
* Add NPT for ASE Molecular Dynamics by jan-janssen in https://github.com/pyiron/atomistics/pull/150


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.1.17...atomistics-0.1.18

What's Changed
* Documentation: Molecular Dynamics - use MD structure by jan-janssen in https://github.com/pyiron/atomistics/pull/145
* Add Molecular Dynamics support for ASE by jan-janssen in https://github.com/pyiron/atomistics/pull/147


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.1.16...atomistics-0.1.17