nomad-coe / nomad-simulations / 17371527129

Builds Branch Commit Type Ran Committer Via Coverage
17371527129 sprint-dft-qchem add LibXC based xc registry to schema utils for 679 functionals Pull #237 EBB2675 github
66.87
17324882083 develop Fix typo in `DFTTBDMFTWorkflow` (#254) Fixes a typo in the `DFTTBDMFTWorkflow` class name where "Workflow" was misspelled as "Woklow". - Corrects the class name from `DFTTBDMFTWoklow` to `DFTTBDMFTWorkflow` - Updates the corresponding import sta... push web-flow github
66.66
17324786915 quick_fix_workflow Apply ruff Pull #254 ndaelman github
66.66
17324752065 quick_fix_workflow Fix lingering mypy erroir Pull #254 ndaelman github
66.66
17324651181 quick_fix_workflow Update type hinting to more modern version: remove Optional in lieu of `| None` Pull #254 ndaelman github
66.66
17324287186 quick_fix_workflow Fix typo in `DFTTBDMFTWorkflow` push ndaelman github
66.66
17164597412 240-disambiguate-crystal-symmetry-symbols Expand description of AFLOW descriptors push ndaelman github
58.48
17157960513 develop removed is_not_representative() util, set default representative system (#250) * removed is_not_representative() util, set default representative system * improved specification and validation of is_representative * ruff * prohibit subsystem f... push web-flow github
66.66
17157929649 225-decide-exact-usage-of-is_representative final review adjustments Pull #250 JFRudzinski github
66.66
17157888122 225-decide-exact-usage-of-is_representative final review adjustments Pull #250 JFRudzinski github
66.44
17157005052 develop System Tree Integrity (#251) * added validation of subsystems & check for cycles, improved get_root_system() functionality * ruff * check only particle_states now * python range checking * switch from checking particle_states to positions to ... push web-flow github
66.66
17156883514 244-enforce-system-tree-integrity ruff format Pull #251 JFRudzinski github
66.66
17154213437 225-decide-exact-usage-of-is_representative ruff Pull #250 JFRudzinski github
66.44
17150379308 240-disambiguate-crystal-symmetry-symbols Update the pydocs and schema to reflect - a single cell and symmetry definition for each model system - explain the role of these fields among themselves and with subsystems - Introduce a more appropriate base class `GlobalSymmetry`, from which we... push ndaelman github
57.59
17131494551 244-enforce-system-tree-integrity python range checking Pull #251 JFRudzinski github
66.66