v2.2.0

What's Changed

• Feature/nics by @cpignedoli in #41

Full Changelog: v2.1.1...v2.2.0

v2.1.1

What's Changed

• added try except to_string VS to_str by @cpignedoli in #39

New Contributors

• @cpignedoli made their first contribution in #39

Full Changelog: v2.1.0...v2.1.1

v2.1.0

What's Changed

• GaussianCalculation: Do no limit kwargs for GaussianInput by @sphuber in #34
• Update dependencies; make compatible with python 3.11 by @eimrek in #37
• move tests to root level & reorganize by @eimrek in #38

Full Changelog: v2.0.4...v2.1.0

v2.0.4

What's Changed

• GaussianBaseParser: Recursively check for nan and inf by @sphuber in #32

New Contributors

• @sphuber made their first contribution in #32

Full Changelog: v2.0.3...v2.0.4

v2.0.3

Full Changelog: v2.0.2...v2.0.3

v2.0.2

What's Changed

• modification to remove v3 warnings by @AndresOrtegaGuerrero in #25
• Update pre-commit by @yakutovicha in #27
• Set pymatgen dependency >=2022.1.20 by @yakutovicha in #29

New Contributors

• @AndresOrtegaGuerrero made their first contribution in #25

Full Changelog: v2.0.0...v2.0.2

v2.0.0

What's Changed

• Migrate to aiida 2 by @eimrek in #23

Full Changelog: v1.5.0...v2.0.0

v1.5.0

What's Changed

• Deal with the "Inaccurate quadrature in CalDSu" problem by @yakutovicha in #18
• Deal with ASyTop error by @yakutovicha in #19
• Slightly evolve package setup by @yakutovicha in #21
• Automate release with bumpver by @yakutovicha in #22

Full Changelog: v1.4.4...v1.5.0

v1.4.4

Merge pull request #15 from nanotech-empa/release/1.4.4

Release/1.4.4

v1.4.3

Merge pull request #11 from nanotech-empa/release/1.4.3

Release/1.4.3