lammpsparser-0.0.2

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #308
• Fix pre-commit config by @jan-janssen in #309
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #311
• Update pandas to 3.0.1 by @jan-janssen in #312
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #314
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #315
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #316
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #317
• Update hatchling to 1.29.0 by @jan-janssen in #318
• Add uv check by @jan-janssen in #319
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #320
• Update dependencies by @jan-janssen in #321

Full Changelog: lammpsparser-0.0.1...lammpsparser-0.0.2

lammpsparser-0.0.1

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #304
• Update numpy to 2.4.2 by @jan-janssen in #307

Full Changelog: pyiron_lammps-0.5.4...lammpsparser-0.0.1

pyiron_lammps-0.5.4

What's Changed

• Potential - strip lines for comparison by @jan-janssen in #299
• Fix rotation matrix is None by @jan-janssen in #300
• Update calculate.py by @Atilaac in #302
• Update pandas to 3.0.0, numpy to 2.4.1 and scipy to 1.17.0 by @jan-janssen in #303

New Contributors

• @Atilaac made their first contribution in #302

Full Changelog: pyiron_lammps-0.5.3...pyiron_lammps-0.5.4

pyiron_lammps-0.5.3

What's Changed

• Update hatchling to 1.28.0 by @jan-janssen in #290
• Follow Python standard packaging guidelines by @jan-janssen in #292
• Implement raw parsing functions which only need the output file as input by @jan-janssen in #291
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #295
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #296
• fix restart by @jan-janssen in #298
• Fix setting initial temperature by @jan-janssen in #297

Full Changelog: pyiron_lammps-0.5.2...pyiron_lammps-0.5.3

pyiron_lammps-0.5.2

What's Changed

• Include validate_potential_dataframe() in public API by @jan-janssen in #280
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #281
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #284
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #286
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #287
• Update ASE to 3.27.0 by @jan-janssen in #289
• Update numpy to 2.4.0 by @jan-janssen in #288

Full Changelog: pyiron_lammps-0.5.1...pyiron_lammps-0.5.2

pyiron_lammps-0.5.1

What's Changed

• Allow custom input by @jan-janssen in #276
• Compatibility interface - handle different types of potentials by @jan-janssen in #277
• Lammps compatibility remove empty lines by @jan-janssen in #278
• Fixes for manually specified potentials by @jan-janssen in #279

Full Changelog: pyiron_lammps-0.5.0...pyiron_lammps-0.5.1

pyiron_lammps-0.5.0

What's Changed

• Migrate potential interface from atomistics to pyiron_lammps by @jan-janssen in #261
• Add support for charge atom style by @jan-janssen in #269
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #273
• Add Lammps function for backwards compatibility to pyiron_atomistics by @jan-janssen in #262
• Add support for constraints by @jan-janssen in #274
• Fix initialization by @jan-janssen in #275

Full Changelog: pyiron_lammps-0.4.10...pyiron_lammps-0.5.0

pyiron_lammps-0.4.10

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #260
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #263
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #265
• Update numpy to 2.3.5 by @jan-janssen in #266

Full Changelog: pyiron_lammps-0.4.9...pyiron_lammps-0.4.10

pyiron_lammps-0.4.9

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #255
• Test with Python 3.14 by @jan-janssen in #256
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #257
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #258
• Update numpy to 2.3.4, scipy to 1.16.3 and h5py to 3.15.1 by @jan-janssen in #259

Full Changelog: pyiron_lammps-0.4.8...pyiron_lammps-0.4.9

pyiron_lammps-0.4.8

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in #253
• Update pandas to 2.3.3 by @jan-janssen in #254

Full Changelog: pyiron_lammps-0.4.7...pyiron_lammps-0.4.8