nomad-coe / atomistic-parsers

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LAST BUILD ON BRANCH v1.0.1

branch: v1.0.1

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• v1.0.1
• 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
• develop
• 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
• update-typing-extensions
• update_author_orcs
• update_version
• upgrade-ase
• v1.0
• 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

Build # 10851950251

Build Type

push

github

Committed by web-flow

Commit Message

updated version (#130)

Co-authored-by: jrudz <rudzinski@mpip-mainz.mpg.de>

Run Details

6324 of 7172 relevant lines covered (88.18%)

0.88 hits per line