Feature: Symmetry for DFT+U - #7969

Merged

mohanchen merged 12 commits into

deepmodeling:developfrom

maki49:dftu-sym

Sep 18, 2026

Commits on Sep 16, 2026

feat: DFT+U symmetry support
maki49
committed
7bd21f2
test: turn symmetry on for DFTU cases
maki49
committed
7093025
fix: do not zero-padding k-points, avoiding a mismatch in build_kstars
maki49
committed
d547188
fix: address PR #7969 review comments (nspin, k-pool indexing, empty kstars, make_unique)

maki49
and
claude
committed
8e88397
fix: preserve public k-point reader contracts and kvec_c_full after aa6fc4311

maki49
and
claude
committed
c5ec358
refactor: split LibRI-free symmetry rotation out of module_ri, fix KPAR

maki49
and
claude
committed
5213739
refactor: drop module_parameter dependency from LibRI-free symmetry rotation

maki49
and
claude
committed
6de21e6
fix: make DFT+U symmetry restoration work under k-point pools (KPAR>1)

maki49
and
claude
committed
94a3800
fix: CI build failures (no-MPI, Makefile) and governance dependency budget

maki49
and
claude
committed
6c26355
fix: turn on kpar in tests; add guard for EXX+kpar
maki49
committed
4a4d7f7

Commits on Sep 17, 2026

fix: address PR review comments (include guard, avoid auto)

maki49
and
claude
committed
4ecd248
Merge branch 'develop' into dftu-sym
mohanchen
authored
4700975