Published September 8, 2020
| Version v1.0.0
Software
Open
lsmo-epfl/aiida-lsmo: aiida-lsmo v1.0.0
- 1. École Polytechnique Fédérale de Lausanne
- 2. EPFL
Description
- Adapt the cp2k parsers to the new aiida-cp2k (1.1.0) package (#38)
- Fix similar-cells check for the SimAnnealing work chain.
- Fix block_pocket key check in sim_annealing work chain.
- Fix zero-potential issue in the ForceFieldBuilder.
Files
lsmo-epfl/aiida-lsmo-v1.0.0.zip
Files
(1.7 MB)
Name | Size | Download all |
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md5:2080a84ca42864f8d896427414af241a
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Additional details
Related works
- Is supplement to
- https://github.com/lsmo-epfl/aiida-lsmo/tree/v1.0.0 (URL)