nomad-coe / nomad-simulations / 19163083306

Builds Branch Commit Type Ran Committer Via Coverage
19163083306 sprint-dft-qchem fix tests for exact exchange Pull #237 EBB2675 github
91.08
19162697757 sprint-dft-qchem use unit_float() Pull #237 EBB2675 github
91.07
19162588470 sprint-dft-qchem add mappings to IntegralDecomposition Pull #237 EBB2675 github
91.07
19162480331 sprint-dft-qchem add TODOs, fix some docstrings in model_method Pull #237 EBB2675 github
90.99
19162377392 sprint-dft-qchem add is_spin_polarized and add TODO Pull #237 EBB2675 github
90.99
19161858478 sprint-dft-qchem move functional component aliases into its own JSON Pull #237 EBB2675 github
90.99
19161305482 sprint-dft-qchem Merge branch 'develop' into sprint-dft-qchem Pull #237 web-flow github
91.01
19150231266 migrate-md ruff format Pull #261 JFRudzinski github
82.65
19150204429 migrate-md mypy adjustments Pull #261 JFRudzinski github
82.65
19133650650 develop fix beyond_hf.py (#276) push web-flow github
90.25
19132936383 fix_hf fix beyond_hf.py Pull #276 EBB2675 github
90.25
19115486096 migrate-md generalize get_diffusion_constant Pull #261 JFRudzinski github
82.7
19115170027 migrate-md test cond dep Pull #261 JFRudzinski github
82.71
19113004356 migrate-md small code formatting Pull #261 JFRudzinski github
82.75
19112860662 migrate-md pull max mol warn out of loop Pull #261 JFRudzinski github
82.69