• 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 110-using-hdf5dataset-for-greens-functions-properties
branch: 110-using-hdf5dataset-for-greens-functions-properties
CHANGE BRANCH
x
Reset
Sync Branches
  • 110-using-hdf5dataset-for-greens-functions-properties
  • 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
  • 113-add-force-field-schema
  • 113-add-force-field-schema-GPT-fill
  • 115-issues-with-dft-xc-extraction
  • 126-minor-fixes
  • 130-atom-centered-basis-set
  • 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

27 Aug 2024 09:33AM UTC coverage: 78.936% (+0.6%) from 78.36%
10578697320

push

github

web-flow
Add `ElectronicGreensFunction` and `ElectronicSelfEnergy` properties (#109)

* Added greens_function properties module

Added Time, ImaginaryTime, MatsubaraFrequency variables

Added info in description of hopping matrix

* Added greens function properties to outputs

* Added testing and fix normalize functions

* Added Occupancy property

* Fix output testing

120 of 139 new or added lines in 5 files covered. (86.33%)

1765 of 2236 relevant lines covered (78.94%)

0.79 hits per line

Relevant lines Covered
Build:
Build:
2236 RELEVANT LINES 1765 COVERED LINES
0.79 HITS PER LINE
Source Files on 110-using-hdf5dataset-for-greens-functions-properties
  • Tree
  • List 24
  • Changed 5
  • Source Changed 0
  • Coverage Changed 5
Coverage ∆ File Lines Relevant Covered Missed Hits/Line

Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
10578697320 110-using-hdf5dataset-for-greens-functions-properties Add `ElectronicGreensFunction` and `ElectronicSelfEnergy` properties (#109) * Added greens_function properties module Added Time, ImaginaryTime, MatsubaraFrequency variables Added info in description of hopping matrix * Added greens func... push 27 Aug 2024 01:05PM UTC web-flow github
78.94
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