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nomad-coe / nomad-simulations
79%
develop: 90%

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LAST BUILD BRANCH: sprint-dft-qchem
DEFAULT BRANCH: develop
Repo Added 04 Jun 2024 10:07AM UTC
Token 5OmvjqxVQJnqUHvN964EvFffLgPQZapet regen
Build 772 Last
Files 93
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LAST BUILD ON BRANCH v0.0.2
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  • v0.0.2
  • 100-different-structure-classes
  • 100-moving-simulation-workflow-definitions-to-this-repo
  • 100-trying-restructured-workflows
  • 101-complete-basis-set-migration
  • 106-allowing-311-python-version
  • 110-using-hdf5dataset-for-greens-functions-properties
  • 113-add-force-field-schema
  • 113-add-force-field-schema-GPT-fill
  • 115-issues-with-dft-xc-extraction
  • 126-minor-fixes
  • 130-atom-centered-basis-set
  • 131-add-mkdocstrings-to-docu
  • 136-add-some-methods-for-the-cell
  • 138-define-n_atoms_per_unit_cell-for-tb-model-method
  • 143-physicalproperty-rank-checks-broken
  • 143-physicalproperty-rank-checks-broken-2
  • 180-check-creation-of-composition-formula
  • 212-electronic-structure-navigation
  • 225-decide-exact-usage-of-is_representative
  • 240-disambiguate-crystal-symmetry-symbols
  • 242-move-wyckoff-to-positions
  • 244-enforce-system-tree-integrity
  • 28-add-md-relevant-outputs
  • 4-documentation-modelmethod-numericalsettings
  • 4-documentation-modelsystem-atomsstate
  • 4-documentation-outputs-physicalproperty
  • 47-add-thermodynamics-output
  • 55-add-electronicgreensfunction-and-electronicselfenergy-properties
  • 73-modelsystem-for-h5md
  • 86-implement-hdf5datasets-for-potentially-large-quantities
  • 9-add-unit-testing
  • 92-further-abstraction-in-modelmethod
  • 94-fix-readme
  • 98-adding-isort-for-the-formatting
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02 Jul 2024 01:08PM UTC coverage: 79.141%. Remained the same
9761592154

push

github

web-flow
Fixing repo for release (#97)

* Changing EntryData for Schema

Pumped new version nomad-lab

* Added badge for python versions

3 of 3 new or added lines in 1 file covered. (100.0%)

1548 of 1956 relevant lines covered (79.14%)

0.79 hits per line

Relevant lines Covered
Build:
Build:
1956 RELEVANT LINES 1548 COVERED LINES
0.79 HITS PER LINE
Source Files on v0.0.2
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9761592154 v0.0.2 Fixing repo for release (#97) * Changing EntryData for Schema Pumped new version nomad-lab * Added badge for python versions push 02 Jul 2024 01:10PM UTC web-flow github
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