pyiron / pyiron_workflow_atomistics

38%

main: 90%

LAST BUILD ON BRANCH feat/phonons

branch: feat/phonons

CHANGE BRANCH

x

Reset

Sync Branches

• feat/phonons
• ase_engine
• ci_fixes
• ci_stuff
• cleanup-and-reorganise
• cleanup-notebooks-runtime-artifacts
• dependabot/pip/numpy-2.0.2
• design-engine-conformance-suite
• develop
• docs/dynaphopy-grace-0p7fs
• docs/dynaphopy-grace-tighter-fits
• docs/dynaphopy-temperature-788k
• docs/free-energy-notebook-eos-opt
• docs/free-energy-notebook-with-calphy
• docs/nb-bulk-solution-energy-latopt
• docs/nb-dynaphopy-emt-example-latopt
• docs/nb-dynaphopy-grace-example-long-latopt
• docs/nb-foundation-model-example-latopt
• docs/nb-gb-cleavage-latopt
• docs/nb-grain-boundary-segregation-latopt
• docs/nb-pure-grain-boundary-study-latopt
• docs/nb-substitutional-formation-energy-latopt
• docs/nb-surface-energy-latopt
• docs/nb-vacancy-formation-energy-latopt
• docs/notebook-outputs-free-energy-solid
• docs/notebooks-grand-canonical-gb-example
• docs/notebooks-phonon-kappa-fm-overlay
• docs/phonons-example-notebook
• docs/remove-redundant-dynaphopy-emt-notebook
• docs/remove-redundant-dynaphopy-grace-short
• docs/strip-calphy-text-output
• docs/strip-dynaphopy-text-output
• feat/calphy-free-energy
• feat/cell-relaxation-enum
• feat/elastic-constants
• feat/free-energy-consolidation
• feat/grand-canonical-gb
• fix-release-workflow-pip-deps
• fix-surface-energy-bulk-reference
• fix/calphy-adapter-1.5.6-api
• fix/calphy-pack-uses-job-simfolder
• fix/gco-gb-energy-formula
• fix/phonon-thermal-skip-on-remote
• fix/phonopy-v4-compat
• fix/test-and-pkg-cleanups
• foundation-model-example
• interstitials
• main
• niklassiemer-uv-check
• notebook/dynaphopy-grace-example
• notebooks
• rename-run-to-calculate
• test-coverage-and-engine-bugfixes
• tests
• tests/improve-coverage

Build # 25888767544

Build Type

Pull #39

github

Committed by web-flow

Commit Message

Merge ba76afc81 into bcb1cf2a8

Pull Request Pull Request #39: feat(phonons): phono3py-based lattice thermal conductivity workflow (v0.0.7)

Coverage Stats

878 of 2319 relevant lines covered (37.86%)

0.38 hits per line