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lsmo-epfl / aiida-lsmo

AiiDA workflows for the LSMO laboratory at EPFL
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test Cp2kMultistageDdec Workchain #60

Closed ltalirz closed 3 years ago

ltalirz commented 3 years ago

Note: this builds on top of some fixes in the aiida-ddec plugin

Wait with merging this until https://github.com/lsmo-epfl/aiida-ddec/pull/25 is merged

codecov-io commented 3 years ago

Codecov Report

Merging #60 (2151919) into develop (1debc0d) will increase coverage by 2.11%. The diff coverage is n/a.

Impacted file tree graph

@@             Coverage Diff             @@
##           develop      #60      +/-   ##
===========================================
+ Coverage    75.53%   77.64%   +2.11%     
===========================================
  Files           26       30       +4     
  Lines         2252     2259       +7     
===========================================
+ Hits          1701     1754      +53     
+ Misses         551      505      -46
Impacted Files Coverage Δ
aiida_lsmo/utils/other_utilities.py 87.75% <0.00%> (-2.73%) :arrow_down:
aiida_lsmo/workchains/cp2k_binding_energy.py 83.87% <0.00%> (-0.51%) :arrow_down:
aiida_lsmo/workchains/cp2k_multistage.py 89.09% <0.00%> (-0.26%) :arrow_down:
aiida_lsmo/calcfunctions/ff_data_schema.py 100.00% <0.00%> (ø)
...o/workchains/cp2k_multistage_protocols/__init__.py 95.00% <0.00%> (ø)
aiida_lsmo/workchains/parameters_schemas.py 81.25% <0.00%> (ø)
aiida_lsmo/utils/isotherm_molecules_schema.py 100.00% <0.00%> (ø)
aiida_lsmo/calcfunctions/ff_builder_module.py 87.73% <0.00%> (+0.15%) :arrow_up:
aiida_lsmo/workchains/multicomp_ads_des.py 93.40% <0.00%> (+0.18%) :arrow_up:
aiida_lsmo/workchains/isotherm.py 89.52% <0.00%> (+0.30%) :arrow_up:
... and 8 more

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