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FAIRmat-NFDI / nomad-simulations
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coverage: 83.506% (+0.2%) from 83.276%
22581388245

Pull #344

github

JFRudzinski 
more snippets
Pull Request #344: reduce redundances; create docs dev guide

125 of 126 new or added lines in 9 files covered. (99.21%)

7660 of 9173 relevant lines covered (83.51%)

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9173 RELEVANT LINES 7660 COVERED LINES
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Builds Branch Commit Type Ran Committer Via Coverage
22581388245 refactor-explanation-docs more snippets Pull #344 JFRudzinski github
83.51
22575700264 refactor-explanation-docs reduce redundances; create docs dev guide push JFRudzinski github
83.28
22572942125 develop add a generic `ParticleState.mass` quantity (#343) * add a generic ParticleState.mass quantity * remove CGBeadState.mass, so that it uses the inherited ParticleState.mass push web-flow github
83.28
22572778171 add-generic-mass remove CGBeadState.mass, so that it uses the inherited ParticleState.mass Pull #343 EBB2675 github
83.28
22572239665 add-generic-mass add a generic ParticleState.mass quantity push EBB2675 github
83.28
22570654871 develop tighten ParticleState and AtomsState definition (#342) push web-flow github
83.28
22569904372 tighten-atomsstate-definition tighten ParticleState and AtomsState definition push EBB2675 github
83.28
22540757767 warnings_and_errors Clean up WorkflowConvergenceTarget enum and imports - Remove `residuum` from `threshold_type` enum (semantically inconsistent - describes WHAT not HOW) - Remove unused imports (`Iterable`, `jmespath`, `SimulationTime`, `Outputs`) - Simplify `Work... Pull #260 ndaelman-hu github
83.38
22506372848 warnings_and_errors Add WavefunctionConvergenceTarget for orbital coefficient convergence - Add `WavefunctionConvergenceTarget` class to `general.py` for tracking wavefunction coefficient convergence in SCF workflows - Add `delta_wavefunction_rms` quantity to `SCFSt... Pull #260 ndaelman-hu github
83.39
22352739452 nonlocal-correlation Update tests/test_model_method.py Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com> Pull #328 web-flow github
83.42
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