dpamber

New features

• dump residue index by @njzjz in https://github.com/njzjz/dpamber/pull/31 https://github.com/njzjz/dpamber/pull/32 https://github.com/njzjz/dpamber/pull/37 https://github.com/njzjz/dpamber/pull/39
• support generating drdq by @njzjz in https://github.com/njzjz/dpamber/pull/36 https://github.com/njzjz/dpamber/pull/44 https://github.com/njzjz/dpamber/pull/41 https://github.com/njzjz/dpamber/pull/46

Bugfixes

• fix: align type_map in model_devi by @njzjz in https://github.com/njzjz/dpamber/pull/34
• fix UT by @njzjz in https://github.com/njzjz/dpamber/pull/43

CI/CD

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/njzjz/dpamber/pull/33
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/njzjz/dpamber/pull/35
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/njzjz/dpamber/pull/38
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/njzjz/dpamber/pull/40
• chore(deps): update actions/checkout action to v4 by @renovate in https://github.com/njzjz/dpamber/pull/42

Full Changelog: https://github.com/njzjz/dpamber/compare/v0.3.2...v0.4.0

What's Changed

• Update actions/setup-python action to v4 by @renovate in https://github.com/njzjz/dpamber/pull/28
• Update actions/checkout action to v3 by @renovate in https://github.com/njzjz/dpamber/pull/26
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/njzjz/dpamber/pull/27
• fix model_devi when EP does not exist by @njzjz in https://github.com/njzjz/dpamber/pull/29
• fix the command in README by @njzjz in https://github.com/njzjz/dpamber/pull/30

Full Changelog: https://github.com/njzjz/dpamber/compare/v0.3.1...v0.3.2

What's Changed

• fix release action by @njzjz in https://github.com/njzjz/dpamber/pull/25

Full Changelog: https://github.com/njzjz/dpamber/compare/v0.3.0...v0.3.1

What's Changed

• Configure Renovate by @renovate in https://github.com/njzjz/dpamber/pull/2
• support nopbc for dpdata plugin by @njzjz in https://github.com/njzjz/dpamber/pull/7
• fix tox 4 compatibilities by @njzjz in https://github.com/njzjz/dpamber/pull/8
• add and run pre-commit to format codes by @njzjz in https://github.com/njzjz/dpamber/pull/10
• fix parmed version by @njzjz in https://github.com/njzjz/dpamber/pull/11
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/njzjz/dpamber/pull/12
• add tests by @njzjz in https://github.com/njzjz/dpamber/pull/14
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/njzjz/dpamber/pull/13
• format with ruff by @njzjz in https://github.com/njzjz/dpamber/pull/15
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/njzjz/dpamber/pull/17
• fix coverage report by @njzjz in https://github.com/njzjz/dpamber/pull/18
• use OIDC to publish packages by @njzjz in https://github.com/njzjz/dpamber/pull/19
• skip uncoverage systems by @njzjz in https://github.com/njzjz/dpamber/pull/20
• change the center to wrap the coords by @njzjz in https://github.com/njzjz/dpamber/pull/21
• support reading from MD output by @njzjz in https://github.com/njzjz/dpamber/pull/22
• fix the model deviation feature by @njzjz in https://github.com/njzjz/dpamber/pull/23

New Contributors

• @renovate made their first contribution in https://github.com/njzjz/dpamber/pull/2
• @pre-commit-ci made their first contribution in https://github.com/njzjz/dpamber/pull/12

Full Changelog: https://github.com/njzjz/dpamber/compare/v0.2.2...v0.3.0

What's Changed

• remove EP only when there is EP in https://github.com/njzjz/dpamber/commit/1dd3759cc30483c570c4821ac0cb89115786d4c4
• automatic release by @njzjz in https://github.com/njzjz/dpamber/pull/3
• add setuptools_scm; migrate to pyproject.yaml by @njzjz in https://github.com/njzjz/dpamber/pull/4

Full Changelog: https://github.com/njzjz/dpamber/compare/v0.2.0...v0.2.2