SOF-7975: defect formation energy across charge states and supercell sizes - #366

Open

VsevolodX wants to merge 10 commits into

mainfrom

feature/SOF-7975

Commits on Sep 8, 2026

refactor: look up any refined property by material, not just total energy

VsevolodX
and
claude
committed
35425c4
feat: defect formation energy across charge states and supercell sizes

VsevolodX
and
claude
committed
62980d2

Commits on Sep 12, 2026

fix: scope reference lookups to the job owner, and drop dead results

VsevolodX
and
claude
committed
c62c9b6
fix: check each pristine reference the way its own consumer resolves it

VsevolodX
and
claude
committed
e16e3d6
fix: mirror both halves of the pristine total-energy lookup, and say what is reused

VsevolodX
and
claude
committed
e4b4310
fix: render the plots in the notebook, not in a browser tab

VsevolodX
and
claude
committed
37deb91
feat: load the pristine cell from the platform as well

VsevolodX
and
claude
committed
881e22d
fix: only plot the envelope from a complete charge set, and check the reuse k-grid

VsevolodX
and
claude
committed
1ee98ef

Commits on Sep 13, 2026

refactor: name the property api tests after the module, not one function

VsevolodX
and
claude
committed
1dd2ed3

Commits on Sep 16, 2026

tmp: branch wheel for notebooks_utils - REVERT BEFORE MERGE

VsevolodX
and
claude
committed
30386c1