Atomistics

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

What's Changed
* Central data classes for output by jan-janssen in https://github.com/pyiron/atomistics/pull/132
* Use Dataclass for ASE and QE by jan-janssen in https://github.com/pyiron/atomistics/pull/131
* Implement get_thermal_properties() for quasi-harmonic by jan-janssen in https://github.com/pyiron/atomistics/pull/133
* Use scipy constants rather than magic numbers by jan-janssen in https://github.com/pyiron/atomistics/pull/134
* Add LAMMPS Langevin Thermostat by jan-janssen in https://github.com/pyiron/atomistics/pull/135
* Readme: Add links to workflows by jan-janssen in https://github.com/pyiron/atomistics/pull/137
* Add thermodynamic integration by jan-janssen in https://github.com/pyiron/atomistics/pull/136
* Introduce data class for thermodynamic output by jan-janssen in https://github.com/pyiron/atomistics/pull/138
* Debye: Remove magic number by jan-janssen in https://github.com/pyiron/atomistics/pull/139
* Fix Quasi Harmonic units bug by jan-janssen in https://github.com/pyiron/atomistics/pull/141
* Refactor workflows by jan-janssen in https://github.com/pyiron/atomistics/pull/142
* Add langevin example to lammps workflow notebook by jan-janssen in https://github.com/pyiron/atomistics/pull/143
* Dataclass for Debye Model by jan-janssen in https://github.com/pyiron/atomistics/pull/140


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.1.15...atomistics-0.1.16

What's Changed
* Docs: Update axis of thermal expansion plot by jan-janssen in https://github.com/pyiron/atomistics/pull/120
* Quasiharmonic Approximation: Use the same size of supercell for both the energy volume curve and the phonon calculation by jan-janssen in https://github.com/pyiron/atomistics/pull/119
* Define quantities only once by jan-janssen in https://github.com/pyiron/atomistics/pull/118
* Merge main by jan-janssen in https://github.com/pyiron/atomistics/pull/122
* Bump pandas from 2.1.3 to 2.1.4 by dependabot in https://github.com/pyiron/atomistics/pull/125
* Bump spglib from 2.1.0 to 2.2.0 by dependabot in https://github.com/pyiron/atomistics/pull/126
* Refactor output classes by liamhuber in https://github.com/pyiron/atomistics/pull/127
* Run select tests on all PRs, not just those to main by liamhuber in https://github.com/pyiron/atomistics/pull/128
* Separate module for output classes by jan-janssen in https://github.com/pyiron/atomistics/pull/123
* With a dataclass by liamhuber in https://github.com/pyiron/atomistics/pull/121


**Full Changelog**: https://github.com/pyiron/atomistics/compare/atomistics-0.1.14...atomistics-0.1.15