add the flag to determine reuse previous results as initial guess in fssh - #888

Draft

puzhichen wants to merge 3 commits into

pyscf:masterfrom

bytedance:quick-fix/no-init-dm-xy

Commits on Sep 2, 2026

add the flag to determine whethre reuse previous step xy, z, dm as initial guess
puzhichen
committed
f70b33d
add the unit tests
puzhichen
committed
d994b16
Fix scf scanner
sunqm
committed
095fe2c