nomad-coe / nomad-simulations / 16906847440

Builds Branch Commit Type Ran Committer Via Coverage
16906847440 develop Physical property tweaking (#201) * Simplify `is_derived` * Remove `Variables` and old logic for enforcing shape * Add `contributions` default subsection * Move normalization up from the parent class * Extend normalization to allow for normalizat... push web-flow github
69.7
16906346307 physical-property-tweaking Merge branch 'develop' into physical-property-tweaking Pull #201 ndaelman github
69.7
16905149454 develop Extend docs on workflows (#206) * Add explainer and examples on the role of workflow2 --------- Co-authored-by: ndaelman <ndaelman@physik.hu-berlin.de> push web-flow github
69.74
16905108024 docs_workflows Expand the examples, standardize the representation of code Pull #206 ndaelman github
69.81
16904290980 physical-property-tweaking Merge branch 'physical-property-tweaking' of github.com:nomad-coe/nomad-simulations into physical-property-tweaking Pull #201 ndaelman github
69.92
16891835676 113-add-force-field-schema 113 add force field schema gpt fill (#209) * added missing FF terms draft by CGPT * added GPT suggestions with ammendments + ruff * checking tests Pull #114 web-flow github
68.59
16891809479 113-add-force-field-schema-GPT-fill checking tests Pull #209 JFRudzinski github
68.59
16876021123 physical-property-tweaking-rebase ruff Pull #208 JFRudzinski github
69.71
16875947204 physical-property-tweaking-rebase correct forces.py, added tests for energies, forces, contributions push JFRudzinski github
69.71
16836612960 physical-property-tweaking Update src/nomad_simulations/schema_packages/physical_property.py Enhance `PhysicalProperty` description Pull #201 web-flow github
69.93
16831790342 physical-property-tweaking - Fix failing tests (incorrect `source` parameter to `DummyPhysicalProperty`) - Apply ruff Pull #201 ndaelman github
69.93
16830836087 physical-property-tweaking Add typing and fix mypy Pull #201 ndaelman github
68.98
16830525248 physical-property-tweaking Apply ruff Pull #201 ndaelman github
68.97
16830521109 physical-property-tweaking Fix breaking tests (incorrect return type) push ndaelman github
68.97
16829737726 physical-property-tweaking Extend chemcial potential Pull #201 ndaelman github
68.97