Optimize memory usage - #2

Open

Anya497 wants to merge 15 commits into

mainfrom

optimize_memory_usage

Commits on Apr 25, 2026

Rewrite kinetic_density einsum to escape intermediet representation with shape [grid, orbitals, orbitals].
Anya497
committed
2fe27e1
Add tests on equivalence.
Anya497
committed
c1c2337
Fix deps.
Anya497
committed
674e97a
Fix tests.
Anya497
committed
2220613
Add kinetic density test to CI.
Anya497
committed
4fb5aa9
Fix assert.
Anya497
committed
516885a
Increase tolerance.
Anya497
committed
a0eec6b
Use integers.
Anya497
committed
e2919e5

Commits on Jul 2, 2026

Modify dependencies usage.
Anya497
committed
c3ae42f
Try another way.
Anya497
committed
0749356
Fix issue with as_dict.
Anya497
committed
39f2f22
Try remove add_signature calling.
Anya497
committed
c18ebb7

Commits on Jul 5, 2026

Run CI on python 3.12
Anya497
committed
b5a10e2
Fix warnings and error with clip.
Anya497
committed
f42a89c
Add debug step.
Anya497
committed
a7cbdbc