Pyiron-lammps

Latest version: v0.2.14

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0.2.14

What's Changed
* Update pympipool to 0.8.0 by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/133
* Add coverage xml by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/134
* Add test for error messages by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/136
* Create CODEOWNERS by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/137
* Bump atomistics from 0.1.26 to 0.1.27 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/138
* Bump jinja2 from 3.1.3 to 3.1.4 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/139
* add ruff linter by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/141
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/pyiron_lammps/pull/144
* Bump atomistics from 0.1.27 to 0.1.28 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/143
* Bump pylammpsmpi from 0.2.18 to 0.2.19 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/147
* Bump pympipool from 0.8.0 to 0.8.4 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/145
* Bump ase from 3.22.1 to 3.23.0 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/146
* Fix CI for stacked pull requests by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/148
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/pyiron_lammps/pull/149
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/pyiron_lammps/pull/150
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/pyiron_lammps/pull/151
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/pyiron_lammps/pull/153
* Bump atomistics from 0.1.29 to 0.1.30 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/156
* Update structuretoolkit to 0.0.25 by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/157
* Bump pympipool from 0.8.4 to 0.8.5 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/155
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/pyiron_lammps/pull/158
* Add import sorting to ruff by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/159
* Update conda-incubator/setup-miniconda from v2 to v3 by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/160
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/pyiron_lammps/pull/161
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/pyiron_lammps/pull/162
* Bump atomistics from 0.1.30 to 0.1.31 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/164
* Bump pympipool from 0.8.5 to 0.9.1 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/163
* Bump pylammpsmpi from 0.2.20 to 0.2.21 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/165
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/pyiron_lammps/pull/166
* Bump pylammpsmpi from 0.2.21 to 0.2.22 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/168
* Update LAMMPS to 2024.06.27 by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/169
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/pyiron_lammps/pull/170
* Fix MPI version by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/172
* Bump pylammpsmpi from 0.2.22 to 0.2.23 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/171
* Add docstrings and type hints with Github co-pilot by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/173
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/pyiron_lammps/pull/174
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/pyiron_lammps/pull/175
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/pyiron/pyiron_lammps/pull/177
* Bump atomistics from 0.1.31 to 0.1.32 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/178
* Bump pylammpsmpi from 0.2.23 to 0.2.24 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/179

New Contributors
* pre-commit-ci made their first contribution in https://github.com/pyiron/pyiron_lammps/pull/144

**Full Changelog**: https://github.com/pyiron/pyiron_lammps/compare/pyiron_lammps-0.2.13...pyiron_lammps-0.2.14

0.2.13

What's Changed
* Bump atomistics from 0.1.21 to 0.1.22 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/111
* Switch dependabot to daily by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/112
* structuretoolkit update to 0.0.21 by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/115
* Bump pympipool from 0.7.11 to 0.7.13 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/114
* Fix coverage by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/116
* Bump pympipool from 0.7.13 to 0.7.15 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/118
* Discover tests by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/119
* Bump pandas from 2.2.0 to 2.2.1 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/120
* Bump pylammpsmpi from 0.2.14 to 0.2.15 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/122
* Bump pympipool from 0.7.15 to 0.7.17 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/121
* Bump atomistics from 0.1.23 to 0.1.24 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/123
* Bump atomistics from 0.1.24 to 0.1.25 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/124
* Bump pandas from 2.2.1 to 2.2.2 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/125
* Update atomistics, LAMMPS, pandas and structuretoolkit by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/126
* Test with Python 3.12 by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/127
* Use Python 3.12 as default for continuous integration by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/128
* Set upper limit for Python version by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/129
* Bump pylammpsmpi from 0.2.15 to 0.2.16 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/132
* Bump atomistics from 0.1.25 to 0.1.26 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/130
* Bump pympipool from 0.7.17 to 0.7.18 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/131


**Full Changelog**: https://github.com/pyiron/pyiron_lammps/compare/pyiron_lammps-0.2.12...pyiron_lammps-0.2.13

0.2.12

What's Changed
* Bump atomistics from 0.1.20 to 0.1.21 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/107
* Update LAMMPS to 2023.11.21 by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/109
* Update structuretoolkit to 0.0.18 by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/110
* Update to pympipool 0.7.11 by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/108


**Full Changelog**: https://github.com/pyiron/pyiron_lammps/compare/pyiron_lammps-0.2.11...pyiron_lammps-0.2.12

0.2.11

What's Changed
* Use functions from atomistics by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/89
* Update atomistics package to 0.1.10 by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/90
* Combine structure and potential list to one joined list by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/93
* Implement more consistent API by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/92
* switch to pympipool.Executor rather than pympipool.mpi.PyMPIExecutor by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/94
* Update atomistics to 0.1.11 by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/95
* Bump atomistics from 0.1.11 to 0.1.12 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/96
* Bump pandas from 2.1.3 to 2.1.4 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/97
* Bump atomistics from 0.1.12 to 0.1.14 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/98
* Bump pylammpsmpi from 0.2.9 to 0.2.10 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/99
* Bump atomistics from 0.1.14 to 0.1.17 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/100
* Bump atomistics from 0.1.17 to 0.1.18 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/101
* Bump atomistics from 0.1.18 to 0.1.19 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/102
* Update numpy to 1.26.3 by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/103
* Bump jinja2 from 3.1.2 to 3.1.3 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/104
* Update pandas to 2.2.0 by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/105


**Full Changelog**: https://github.com/pyiron/pyiron_lammps/compare/pyiron_lammps-0.2.10...pyiron_lammps-0.2.11

0.2.10

What's Changed
* Bump pympipool from 0.7.5 to 0.7.9 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/87
* Bump atomistics from 0.1.3 to 0.1.8 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/86
* Bump pylammpsmpi from 0.2.6 to 0.2.8 by dependabot in https://github.com/pyiron/pyiron_lammps/pull/88


**Full Changelog**: https://github.com/pyiron/pyiron_lammps/compare/pyiron_lammps-0.2.9...pyiron_lammps-0.2.10

0.2.9

What's Changed
* Test pip no-build-isolation option by jan-janssen in https://github.com/pyiron/pyiron_lammps/pull/85


**Full Changelog**: https://github.com/pyiron/pyiron_lammps/compare/pyiron_lammps-0.2.8...pyiron_lammps-0.2.9

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