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nomad-coe / nomad-simulations
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LAST BUILD BRANCH: sprint-dft-qchem
DEFAULT BRANCH: develop
Repo Added 04 Jun 2024 10:07AM UTC
Token 5OmvjqxVQJnqUHvN964EvFffLgPQZapet regen
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LAST BUILD ON BRANCH 212-electronic-structure-navigation
branch: 212-electronic-structure-navigation
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  • 212-electronic-structure-navigation
  • 100-different-structure-classes
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12 Aug 2025 11:00AM UTC coverage: 69.696% (-0.04%) from 69.735%
16910704783

push

github

web-flow
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 normalization only once
* Add check for nesting warning with `PhysicalProperty.contributions`
* Add `PhysicalProperty.type_contribution`
* Extend chemical potential

* Add plotting function
* Add `sub_plots`
* Use pre-existing sub_plot figures or produce them
* Add check for out-of-bounds `target_index` in `PhysicalProperty.sub_plots`

* Clean dependencies
* Update ruff linting settings

---------

Co-authored-by: ndaelman <ndaelman@physik.hu-berlin.de>

97 of 100 new or added lines in 8 files covered. (97.0%)

10 existing lines in 2 files now uncovered.

1971 of 2828 relevant lines covered (69.7%)

0.7 hits per line

Relevant lines Covered
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2828 RELEVANT LINES 1971 COVERED LINES
0.7 HITS PER LINE
Source Files on 212-electronic-structure-navigation
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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 12 Aug 2025 01:42PM UTC web-flow github
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