Closed chrisjsewell closed 4 years ago
:exclamation: No coverage uploaded for pull request base (
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@@ Coverage Diff @@
## develop #35 +/- ##
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Coverage ? 88.64%
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Files ? 93
Lines ? 5999
Branches ? 0
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Hits ? 5318
Misses ? 681
Partials ? 0
Flag | Coverage Δ | |
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#pytests | 88.64% <0.00%> (?) |
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✨ Update for compatibility with aiida-core v1.4.0
exposed_outputs
method in properties workchain👌 Support for more input variables:
ROTCRY
inputDFTD3
input blockCHEMOD
input block✨ New PPAN properties calculation, and related parsers
👌 Allow
Symmetrise3DStructure
to use the pymatgen CIF parser📚 Update documentation to use myst-nb
🧪 Move to GH Actions for CI testing, and tox configuration, and improve pre-commit code styling