Commit 74f1835
authored
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>1 parent 56afad7 commit 74f1835
File tree
25 files changed
+444
-670
lines changed- src/nomad_simulations/schema_packages
- properties
- tests
- properties
25 files changed
+444
-670
lines changed| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
1 | 1 | | |
2 | 2 | | |
3 | 3 | | |
4 | | - | |
5 | 4 | | |
6 | 5 | | |
7 | 6 | | |
| |||
22 | 21 | | |
23 | 22 | | |
24 | 23 | | |
25 | | - | |
26 | 24 | | |
27 | 25 | | |
28 | 26 | | |
| |||
68 | 66 | | |
69 | 67 | | |
70 | 68 | | |
71 | | - | |
72 | | - | |
73 | 69 | | |
74 | 70 | | |
75 | 71 | | |
| |||
0 commit comments