Aiida-cp2k

Latest version: v2.0.0

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1.4.1

New Contributors
* mbercx made their first contribution in https://github.com/aiidateam/aiida-cp2k/pull/151

**Full Changelog**: https://github.com/aiidateam/aiida-cp2k/compare/v1.4.0...v1.4.1

1.4.0

New Contributors
* hdsassnick made their first contribution in https://github.com/aiidateam/aiida-cp2k/pull/126
* VasylStotskyi made their first contribution in https://github.com/aiidateam/aiida-cp2k/pull/149

**Full Changelog**: https://github.com/aiidateam/aiida-cp2k/compare/v1.3.0...v1.4.0

1.3.0

Changes in the release:
* Testing:
- Move CI tests from Travis to GitHub actions (121).
- Add test for xyz writing (125).
* Inputs, outputs, parsing:
- Advanced parser: parse integrated spin density and S-square (118).
- Add k-points input (123).
- Cp2kBaseWorkChain: store final input dictionary (124).
* Code improvements:
- Improve input parameters help strings, convert strings to f-strings, remove unused `resources` input (122).
- Import material science objects through factories (120).

1.2.1

This is a bug-fix release that add a workaround for the https://github.com/aiidateam/aiida-core/issues/4454 bug.

1.2.0

- Add (optional) support for the AiiDA Gaussian Datatypes (104, 111).

1.1.1

- Fix docs build (102, 103)
- Advanced parser: parse electronic energy (108)

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