ROM hyper reduction for density evaluation#268

Merged

dreamer2368 merged 14 commits intoROMFPMDfrom rho-rom

Sep 16, 2024

+319-5

Commits on Aug 8, 2024

base for rho test
dreamer2368
committed

Commits on Aug 9, 2024

Commits on Aug 12, 2024

computeRhoOnSamplePts checked. does not seem to have the factor 2..
dreamer2368
committed

Commits on Aug 23, 2024

rho eval with random density matrix. however, rescaleTotalCharge needs to be accounted.
dreamer2368
committed

Commits on Aug 26, 2024

figuring out how to load rho from restart file
dreamer2368
committed

Commits on Aug 28, 2024

cleanup for minimal example
dreamer2368
committed

Commits on Sep 13, 2024