nomad-coe / nomad-simulations / 10014635763

Builds Branch Commit Type Ran Committer Via Coverage
10014635763 101-complete-basis-set-migration Incorporate `LocalizedBasisSet` back into `BasisSet` Pull #102 ndaelman github
0.0
9998654811 101-complete-basis-set-migration Fix ruff linting errors Pull #102 ndaelman github
0.0
9978590883 101-complete-basis-set-migration Add atom-centered basis push ndaelman github
78.96
9977668842 101-complete-basis-set-migration - Introduce base structure, i.e. `BasisSetContainer`, `BasisSet` - Add `PlaneWaveBasisSet` push ndaelman github
78.94
9945067540 100-moving-simulation-workflow-definitions-to-this-repo Adding isort and other rules for formatting (#99) * Added more rules for linting Added organizeImports on save on settings.json * Formatted all files * Fix utils format push web-flow github
78.88
9840932788 develop Adding isort and other rules for formatting (#99) * Added more rules for linting Added organizeImports on save on settings.json * Formatted all files * Fix utils format push web-flow github
78.88
9840868774 98-adding-isort-for-the-formatting Fix utils format Pull #99 JosePizarro3 github
78.88
9840811666 98-adding-isort-for-the-formatting Formatted all files push JosePizarro3 github
78.88
9839086432 98-adding-isort-for-the-formatting create base structure for energies (#91) * transfered changes from 28 to new structure * ruff * reorg energy and force structure * updated outputs list * added default tests for energies forces and thermodynamics * removed mechanic... push web-flow github
78.87
9836608336 develop create base structure for energies (#91) * transfered changes from 28 to new structure * ruff * reorg energy and force structure * updated outputs list * added default tests for energies forces and thermodynamics * removed mechanic... push web-flow github
78.87
9778150294 28-add-md-relevant-outputs fixed import, remove value descriptions Pull #91 jrudz github
78.87
9761592154 v0.0.2 Fixing repo for release (#97) * Changing EntryData for Schema Pumped new version nomad-lab * Added badge for python versions push web-flow github
79.14
9761581042 develop Fixing repo for release (#97) * Changing EntryData for Schema Pumped new version nomad-lab * Added badge for python versions push web-flow github
79.14
9761552496 fixing_repo_release Added badge for python versions Pull #97 JosePizarro3 github
79.14
9761526572 fixing_repo_release Changing EntryData for Schema Pumped new version nomad-lab Pull #97 JosePizarro3 github
79.14