nomad-coe / nomad-simulations / 18002304744

Builds Branch Commit Type Ran Committer Via Coverage
18002304744 atom-centered-basis-set fix AttributeError in AtomCenteredFunction Pull #259 EBB2675 github
90.82
18000879220 atom-centered-basis-set remove padding and truncation logic Pull #259 EBB2675 github
90.79
17489765556 sprint-dft-qchem fix CoreElectronTreatment Pull #237 EBB2675 github
91.27
17488741277 sprint-dft-qchem linting Pull #237 EBB2675 github
91.49
17488665872 sprint-dft-qchem minor docstring modifications Pull #237 EBB2675 github
91.49
17468704126 warnings_and_errors refactor representation of convergence push kubanmar github
0.0
17467983966 develop Add workflow tests (#256) * Fix mapping of in-outputs * General workflow tests * Add geometry optimization test * Add molecular dynamics test * Add phonon test * Revert removed utils test * Move log_output fixture * Add single point test ... push web-flow github
90.66
17467295896 add-workflow-tests Add xs test Pull #256 ladinesa github
90.66
17461173745 develop Fix coveralls action (#258) * Add coveralls to deps * Update actions.yml * Fix commit push web-flow github
88.57
17444028940 hot-fix Fix commit Pull #258 ladinesa github
88.57
17431514889 sprint-dft-qchem minor docstring modifications Pull #237 EBB2675 github
68.88
17431462035 sprint-dft-qchem fix mypy error Pull #237 EBB2675 github
68.88
17431335430 sprint-dft-qchem finalize LibXC integration Pull #237 EBB2675 github
68.8
17411411382 add-workflow-tests Make labels private Pull #256 ladinesa github
82.44
17404957507 sprint-dft-qchem update relativity, change XCSet to XCFunctional Pull #237 EBB2675 github
68.74