Aiida-nanotech-empa

Latest version: v0.7.1

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0.7.0

What's Changed
* Implement fragment separation work chain. by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/87


**Full Changelog**: https://github.com/nanotech-empa/aiida-nanotech-empa/compare/v0.6.2...v0.7.0

0.6.2

What's Changed
* Local import of version in `__init__.py` by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/77
* Increase number of attempts by pymol when creating a png by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/82
* Enable GW calculations for molecules. by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/78


**Full Changelog**: https://github.com/nanotech-empa/aiida-nanotech-empa/compare/v0.6.1...v0.6.2

0.6.1

What's Changed
* Gw memory cut by cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/76


**Full Changelog**: https://github.com/nanotech-empa/aiida-nanotech-empa/compare/v0.6.0...v0.6.1

0.6.0

What's Changed
* Nanoribbon workflow: add optional tot_charge input by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/73
* Expand the list of the allowed number of nodes on Piz Daint by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/74
* Add the possibility to select from multiple protocols by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/75


**Full Changelog**: https://github.com/nanotech-empa/aiida-nanotech-empa/compare/v0.5.4...v0.6.0

0.5.4

**Full Changelog**: https://github.com/nanotech-empa/aiida-nanotech-empa/compare/v0.5.3...v0.5.4

0.5.3

What's Changed
* Update plot_mapping function. by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/69
* Use setup.cfg instead of setup.json by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/70
* Update release workflow by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/71
* Automate release process with `bumpver`. by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/72


**Full Changelog**: https://github.com/nanotech-empa/aiida-nanotech-empa/compare/v0.5.2...v0.5.3

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