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nomad-coe / atomistic-parsers
87%

Build:
DEFAULT BRANCH: develop
Repo Added 12 Mar 2024 03:27PM UTC
Token GbrxN03Xq8SE0uzYjIZPNOXv8CqesYQ6E regen
Build 148 Last
Files 67
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LAST BUILD ON BRANCH develop
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  • develop
  • 100-errors-from-pyiron-lammps-log
  • 108-add-support-for-mole-in-energy-quantities-in-h5md-parser
  • 109-test-issue
  • 112-update-gromacs-parser
  • 115-problematic-parsing-of-traj-files-from-ase
  • 119-add-shear-flow-md-parsing-to-h5md
  • 120-h5md-debugging-for-shear-flow-sims
  • 122-gromacs-processing-fails-due-to-incorrect-parsing-of-input-params
  • 122-rebased-to-entry-point
  • 139-visualize-systems-with-topology-information-only
  • JFRudzinski-patch-1
  • MDAnalysis-version-update
  • add-ase-worklow
  • add_zenodo_doi
  • bump-dependencies
  • dependency-update
  • dynamic-version
  • entry-point
  • fix-asap
  • fix-file-parser
  • fix-gromacs
  • fix-interactions
  • fix-quantity-types
  • fix-unit-conversion
  • move-mdanalysis
  • numpy-pint
  • package
  • prep_for_zenodo_publish
  • rebase-of-115
  • release
  • remove-menv
  • remove-ndarray
  • test_pipeline
  • update-deps
  • update-hdf5
  • update-pydantic
  • update-pytest
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  • update_author_orcs
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  • v1.0
  • v1.0.1
  • v1.0.10
  • v1.0.2
  • v1.0.3
  • v1.0.4
  • v1.0.5
  • v1.0.6
  • v1.0.7
  • v1.0.8
  • v1.0.9
  • visualization-from-topology

04 Nov 2025 01:54PM UTC coverage: 87.324% (+0.8%) from 86.552%
19070991432

push

github

web-flow
Skip gromacs test (#165)

6 of 6 new or added lines in 1 file covered. (100.0%)

69 existing lines in 3 files now uncovered.

6269 of 7179 relevant lines covered (87.32%)

0.87 hits per line

Relevant lines Covered
Build:
Build:
7179 RELEVANT LINES 6269 COVERED LINES
0.87 HITS PER LINE
Source Files on develop
  • Tree
  • List 67
  • Changed 7
  • Source Changed 0
  • Coverage Changed 7
Coverage ∆ File Lines Relevant Covered Missed Hits/Line

Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
19070991432 develop Skip gromacs test (#165) push 04 Nov 2025 02:01PM UTC web-flow github
87.32
18950552750 develop Remove pytest constraint (#164) * Remove pytest constraint * Restrict mdanalysis push 30 Oct 2025 06:11PM UTC web-flow github
86.55
18191842654 develop Update README with status notice on development (#163) Added status notice regarding legacy simulation schema and new parser suite. push 02 Oct 2025 11:42AM UTC web-flow github
86.55
16806602560 develop Upgrade ase (#161) * Upgrade ase * Update asap traj files * Linting fix * Update gh action * Use ase 3.22 * Write asap traj in ase==3.25 and skip tests * Fix commit * Add condition to run test * Fix commit --------- Co-authored-by: Alvi... push 07 Aug 2025 02:03PM UTC web-flow github
86.55
15437917756 develop Optimize xvg parser (#158) push 04 Jun 2025 08:57AM UTC web-flow github
88.13
14879224388 develop Add single point workflow (#155) push 07 May 2025 08:58AM UTC web-flow github
88.17
14082016212 develop Remove nptyping (#154) * Update mdanalysis.py * Update pyproject.toml * Update pyproject.toml push 26 Mar 2025 11:27AM UTC web-flow github
88.18
13949011185 develop Fix np.dot on pint (#152) push 19 Mar 2025 02:33PM UTC web-flow github
88.19
13902674180 develop Update deps (#151) push 17 Mar 2025 03:05PM UTC web-flow github
88.19
13432049293 develop Update README.md (#149) with auto-updating Zenodo badge push 20 Feb 2025 09:34AM UTC web-flow github
88.19
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