Aiida-nanotech-empa

Latest version: v0.7.1

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0.5.0

What's Changed
* Changed cost of calculation by cpignedoli in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/57
* Gaussian stm tools & igor utilities by eimrek in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/62
* Prepare release 0.5.0 by yakutovicha in https://github.com/nanotech-empa/aiida-nanotech-empa/pull/63

**Full Changelog**: https://github.com/nanotech-empa/aiida-nanotech-empa/compare/v0.4.2...v0.5.0

0.4.2

**Full Changelog**: https://github.com/nanotech-empa/aiida-nanotech-empa/compare/v0.4.1...v0.4.2

0.4.1

* Include cp2k data & protocols in MANIFEST. (0d489a5ddd69ed1fd1ffdbc42a48ba9cdb8cb946)

0.4.0

* Gaussian: support vdW corrections. (49)
* CP2K: Update GW GPW protocol. (50)
* Gaussian: add constrained optimisation chain work chain. (51)
* Gaussian SCF: fallback to `conver=7` if default fails. (52)
* CP2K adsorption work chain: add pk to input structure extras. (bcc71d0)
* Gaussian: support def. resources on slurm & spin wc cubes update. (b8f9cdcd1f0d19bfbfa9c2ed01486d62bd1f47ab)
* Add work chains for slab molecules and bulks. (53)
* Add option to skip cell optimisation. (54)

0.3.0

0.2.0

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