nomad-coe / nomad-simulations / 19229009753

Builds Branch Commit Type Ran Committer Via Coverage
19229009753 develop Fix import (#279) push web-flow github
82.65
19228484944 fix-context-import Fix import Pull #279 ladinesa github
82.65
19224631192 sprint-dft-qchem sprint-dft-qchem: squash of feature work Pull #237 EBB2675 github
83.59
19224378114 sprint-dft-qchem add todo for jacobs ladder Pull #237 EBB2675 github
91.08
19224166408 sprint-dft-qchem WIP: rebase Pull #237 EBB2675 github
83.59
19170712288 develop Migrate md (#261) * initial migration, restructuring, etc. * updating Rg, modularizing MDOutputs.normalize * further work on MDOutputs.normalize * save for testing * fix compile errors and restructure get_mol_rgs * rename model to method, re... push web-flow github
82.65
19163229151 sprint-dft-qchem add todo for jacobs ladder Pull #237 EBB2675 github
91.08
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