Closed ltalirz closed 3 years ago
Merging #61 (86a8072) into develop (1debc0d) will increase coverage by
0.63%
. The diff coverage is94.23%
.
@@ Coverage Diff @@
## develop #61 +/- ##
===========================================
+ Coverage 75.53% 76.16% +0.63%
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Files 26 29 +3
Lines 2252 2203 -49
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- Hits 1701 1678 -23
+ Misses 551 525 -26
Impacted Files | Coverage Δ | |
---|---|---|
aiida_lsmo/workchains/cp2k_binding_energy.py | 83.87% <66.66%> (-0.51%) |
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aiida_lsmo/workchains/cp2k_multistage.py | 89.09% <66.66%> (-0.26%) |
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...o/workchains/cp2k_multistage_protocols/__init__.py | 95.00% <95.00%> (ø) |
|
aiida_lsmo/calcfunctions/ff_builder_module.py | 87.73% <100.00%> (+0.15%) |
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aiida_lsmo/calcfunctions/ff_data_schema.py | 100.00% <100.00%> (ø) |
|
aiida_lsmo/utils/isotherm_molecules_schema.py | 100.00% <100.00%> (ø) |
|
aiida_lsmo/workchains/isotherm.py | 89.26% <100.00%> (+0.05%) |
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aiida_lsmo/workchains/isotherm_inflection.py | 90.41% <100.00%> (+1.91%) |
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aiida_lsmo/workchains/sim_annealing.py | 94.30% <100.00%> (-0.83%) |
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aiida_lsmo/workchains/singlecomp_widom.py | 24.74% <100.00%> (+1.60%) |
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... and 3 more |
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@danieleongari this is the first part (validation of the existing yamls).
next part will be validation of user-supplied dictionaries
This PR validates the various yaml files in the repository: