nomad-coe / nomad-simulations / 19108775254

Builds Branch Commit Type Ran Committer Via Coverage
19108775254 274-add-labels-to-identify-pull-request-scope Added release.yml push web-flow github
90.25
19108519478 274-add-labels-to-identify-pull-request-scope post-HF workflows : Coupled Cluster and Configuration Interaction (#270) * add CoupledCluster, ConfigurationInteraction and co * add HartreeFock * create beyond_hf.py for post hf workflows * create test_beyond_hf.py * add coupled_cluster.py ... push web-flow github
90.25
19100595948 migrate-md further fix num settings Pull #261 JFRudzinski github
82.91
19098124535 develop post-HF workflows : Coupled Cluster and Configuration Interaction (#270) * add CoupledCluster, ConfigurationInteraction and co * add HartreeFock * create beyond_hf.py for post hf workflows * create test_beyond_hf.py * add coupled_cluster.py ... push web-flow github
90.25
19096785678 migrate-md finish review edits Pull #261 JFRudzinski github
82.43
19095439822 migrate-md proxy type instead of cond import Pull #261 JFRudzinski github
82.25
19074333750 coupled-cluster-workflow fix another damn typo in the docstrings Pull #270 EBB2675 github
90.25
19074239059 coupled-cluster-workflow Merge remote-tracking branch 'origin/develop' into coupled-cluster-workflow Pull #270 EBB2675 github
90.25
19074143167 develop 271 recent mypy errors in model systempy and numerical settingspy with current type check settings (#272) - Fix type annotation errors in `model_system.py` and `numerical_settings.py`. - Update 1 validation result in `test_numerical_settings.py` ... push web-flow github
90.29
19073979790 271-recent-mypy-errors-in-model_systempy-and-numerical_settingspy-with-current-type-check-settings Add new attempt to fix lingering Any | np.ndarray error Pull #272 ndaelman github
90.29
19073521014 271-recent-mypy-errors-in-model_systempy-and-numerical_settingspy-with-current-type-check-settings Apply ruff Pull #272 ndaelman github
90.29
19064372631 sprint-dft-qchem clarify some points in LibXC canonicalization Pull #237 EBB2675 github
91.06
19064045169 sprint-dft-qchem add tests for Relativity, Solvation and Dispersion Pull #237 EBB2675 github
91.06
19039803640 migrate-md fix 3.11 mypy Pull #261 JFRudzinski github
82.25
19039548382 migrate-md pytest_asyncio dep Pull #261 JFRudzinski github
82.25