nomad-coe / nomad-simulations / 16936469373

Builds Branch Commit Type Ran Committer Via Coverage
16936469373 cgbeadstate-2 remove duplicate method Pull #222 JFRudzinski github
70.47
16936352766 cgbeadstate-2 Merge branch 'develop' into cgbeadstate-2 Pull #222 web-flow github
70.46
16936279966 cgbeadstate-2 automated reassignment of generic particle states push JFRudzinski github
70.46
16932752786 develop generalize treatment of particle states (#216) * generalize treatment of particle states * ruff push web-flow github
69.77
16930822627 cgbeadstate ruff Pull #216 JFRudzinski github
69.77
16921280109 cgbeadstate generalize treatment of particle states push JFRudzinski github
69.77
16921247403 add_system_orbitals correct comment Pull #215 ndaelman github
0.0
16919915818 add_system_orbitals - Substitute `OrbitalsState` for `ElectronicState` -- TODO: run out to other files, e.g. `ModelMethod` push ndaelman github
0.0
16913600187 develop Ammend phys prop (#214) * Update `src/nomad_simulations/schema_packages/properties/forces.py` * Add tests for energies, forces, contributions --------- Co-authored-by: jrudz <rudzinski@mpip-mainz.mpg.de> Co-authored-by: Copilot <175728472+Copil... push web-flow github
69.71
16913570293 ammend_phys_prop Apply ruff Pull #214 ndaelman github
69.71
16912799134 ammend_phys_prop Update src/nomad_simulations/schema_packages/properties/forces.py Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com> Pull #214 web-flow github
69.71
16912731964 ammend_phys_prop correct forces.py, added tests for energies, forces, contributions push ndaelman github
69.71
16910704783 212-electronic-structure-navigation 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
16907926789 qc-single-reference add test_integrals.py, fix the unit Pull #187 EBB2675 github
70.5
16907093994 physical-property-tweaking correct forces.py, added tests for energies, forces, contributions push ndaelman github
69.71