• Home
  • Features
  • Pricing
  • Docs
  • Announcements
  • Sign In

nomad-coe / nomad-simulations
79%
develop: 90%

Build:
Build:
LAST BUILD BRANCH: sprint-dft-qchem
DEFAULT BRANCH: develop
Repo Added 04 Jun 2024 10:07AM UTC
Token 5OmvjqxVQJnqUHvN964EvFffLgPQZapet regen
Build 772 Last
Files 93
Badge
Embed ▾
README BADGES
x

If you need to use a raster PNG badge, change the '.svg' to '.png' in the link

Markdown

Textile

RDoc

HTML

Rst

LAST BUILD ON BRANCH 130-atom-centered-basis-set
branch: 130-atom-centered-basis-set
CHANGE BRANCH
x
Reset
Sync Branches
  • 130-atom-centered-basis-set
  • 100-different-structure-classes
  • 100-moving-simulation-workflow-definitions-to-this-repo
  • 100-trying-restructured-workflows
  • 101-complete-basis-set-migration
  • 106-allowing-311-python-version
  • 110-using-hdf5dataset-for-greens-functions-properties
  • 113-add-force-field-schema
  • 113-add-force-field-schema-GPT-fill
  • 115-issues-with-dft-xc-extraction
  • 126-minor-fixes
  • 131-add-mkdocstrings-to-docu
  • 136-add-some-methods-for-the-cell
  • 138-define-n_atoms_per_unit_cell-for-tb-model-method
  • 143-physicalproperty-rank-checks-broken
  • 143-physicalproperty-rank-checks-broken-2
  • 180-check-creation-of-composition-formula
  • 212-electronic-structure-navigation
  • 225-decide-exact-usage-of-is_representative
  • 240-disambiguate-crystal-symmetry-symbols
  • 242-move-wyckoff-to-positions
  • 244-enforce-system-tree-integrity
  • 28-add-md-relevant-outputs
  • 4-documentation-modelmethod-numericalsettings
  • 4-documentation-modelsystem-atomsstate
  • 4-documentation-outputs-physicalproperty
  • 47-add-thermodynamics-output
  • 55-add-electronicgreensfunction-and-electronicselfenergy-properties
  • 73-modelsystem-for-h5md
  • 86-implement-hdf5datasets-for-potentially-large-quantities
  • 9-add-unit-testing
  • 92-further-abstraction-in-modelmethod
  • 94-fix-readme
  • 98-adding-isort-for-the-formatting
  • JFRudzinski-patch-1
  • adapting-new-entry-points-structure
  • add-representation-section
  • add-workflow-tests
  • add-workflows
  • add_cff_file
  • add_system_orbitals
  • add_zenodo_doi
  • adds_to_131
  • ammend_phys_prop
  • atom-centered-basis-set
  • bump_dependencies
  • cg-particle-support
  • cg-particle-support-JFR
  • cgbeadstate
  • cgbeadstate-2
  • cgbeadstate-2-div
  • charge-density-h5
  • cicd_python_version
  • clarify_subsystem_referencing
  • clean_electronic
  • clean_schema
  • coupled_cluster
  • develop
  • disable-workflow-ref-tests
  • docs_workflows
  • documentation
  • documentation-sprint
  • extend-workflows
  • extend_equalities
  • fix-bond-list
  • fix-docstrings-modelsystem
  • fix-geometric-space-warning
  • fix-h5md-test
  • fix_equal_operator_in_cell
  • fix_particle_indices
  • fix_pipeline
  • fixes
  • fixing_repo_release
  • h5md-refactor
  • hot-fix
  • hot-fix-model-system
  • logger-decorator
  • migrate-md
  • nmr-schema-atom-labels
  • orbitals-allow-l0
  • patch-bad-import
  • phys_prop_2025-05-16
  • physical-property-tweaking
  • physical-property-tweaking-rebase
  • playing_graphviz
  • positive_data_types
  • qc-model-method-contributions
  • qc-single-reference
  • quick_fix_workflow
  • redo-physical-property
  • redo-physical-property-JFR
  • refactoring-model-system
  • remove-dependency-of-placeholder
  • remove_phys_prop
  • remove_phys_prop-EBB-test
  • remove_phys_prop-JFR-test
  • revert-243-extend-workflows
  • ri-approximation
  • shape_decorators
  • sprint-dft-qchem
  • subroutine_name
  • subsection_index
  • test-branch
  • test_new_physical_props
  • test_phys_prop_annotations
  • test_push
  • update-pip-installation-without-index
  • update_link
  • utils_check_simulation_cell
  • v0.0.0
  • v0.0.1
  • v0.0.2
  • v0.0.3
  • v0.0.4
  • v0.0.5
  • v0.0.6
  • v0.0.7
  • v0.1.0
  • v0.1.1
  • v0.1.2
  • v0.2.1
  • v0.3.1
  • v0.3.2
  • v0.4.0
  • v0.5.0
  • version_tag
  • warnings_and_errors

11 Dec 2024 02:20PM UTC coverage: 79.376% (-0.8%) from 80.147%
12278300834

Pull #132

github

EBB2675
a placeholder for MO and LCAO
Pull Request #132: Add atom centered basis set

69 of 110 new or added lines in 4 files covered. (62.73%)

1 existing line in 1 file now uncovered.

2136 of 2691 relevant lines covered (79.38%)

0.79 hits per line

Relevant lines Covered
Build:
Build:
2691 RELEVANT LINES 2136 COVERED LINES
0.79 HITS PER LINE
Source Files on 130-atom-centered-basis-set
  • Tree
  • List 25
  • Changed 4
  • Source Changed 0
  • Coverage Changed 4
Coverage ∆ File Lines Relevant Covered Missed Hits/Line

Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
12278300834 130-atom-centered-basis-set a placeholder for MO and LCAO Pull #132 11 Dec 2024 02:21PM UTC EBB2675 github
79.38
12257388421 130-atom-centered-basis-set add a simple HF class Pull #132 10 Dec 2024 01:43PM UTC EBB2675 github
79.88
12182336673 130-atom-centered-basis-set add total_charge and total_spin to ModelSystem Pull #132 05 Dec 2024 03:00PM UTC EBB2675 github
79.88
12159870756 130-atom-centered-basis-set add method to LocalCorrelation Pull #132 04 Dec 2024 12:37PM UTC EBB2675 github
79.86
12156167418 130-atom-centered-basis-set add OrbitalLocalization to numerical_settings.py Pull #132 04 Dec 2024 08:52AM UTC EBB2675 github
79.82
12155398198 130-atom-centered-basis-set fix test_basis_set.py Pull #132 04 Dec 2024 08:01AM UTC EBB2675 github
79.81
12071992477 130-atom-centered-basis-set add a normalizer function for the AtomCenteredFunction to handle combined orbital types Pull #132 28 Nov 2024 03:45PM UTC EBB2675 github
39.51
11954720342 130-atom-centered-basis-set remove contributions Pull #132 21 Nov 2024 01:59PM UTC EBB2675 github
80.14
11951107187 130-atom-centered-basis-set MEnum for MolecularHamiltonianContributions Pull #132 21 Nov 2024 10:16AM UTC EBB2675 github
80.13
11937015489 130-atom-centered-basis-set modify Mesh Pull #132 20 Nov 2024 03:57PM UTC EBB2675 github
80.13
See All Builds (768)

Badge your Repo: nomad-simulations

We detected this repo isn’t badged! Grab the embed code to the right, add it to your repo to show off your code coverage, and when the badge is live hit the refresh button to remove this message.

Could not find badge in README.

Embed ▾
README BADGES
x

If you need to use a raster PNG badge, change the '.svg' to '.png' in the link

Markdown

Textile

RDoc

HTML

Rst

Refresh
  • Settings
  • Repo on GitHub
STATUS · Troubleshooting · Open an Issue · Sales · Support · CAREERS · ENTERPRISE · START FREE · SCHEDULE DEMO
ANNOUNCEMENTS · TWITTER · TOS & SLA · Supported CI Services · What's a CI service? · Automated Testing

© 2025 Coveralls, Inc