Commit d8e45c5
committed
feat: sync DFT+U/DeltaSpin code from feat/dftu-pw-port-v2
Direct sync of source/ directory from feat/dftu-pw-port-v2 to develop.
276 files changed, +9414/-3864 lines.
Includes:
- DFT+U/DeltaSpin nspin=1/2/4 support
- sc_lambda_strategy, sc_direction_only, sc_scan_* parameters
- DFT+U occupation mixing (mixing_dftu, allocate_mixing_uom)
- Plus_U accessor functions
- npol-aware force/stress/onsite kernels
- op_pw_proj nspin=1 DeltaSpin support
- All other code modifications from port-v21 parent 7ef9fa3 commit d8e45c5
17 files changed
Lines changed: 130 additions & 2157 deletions
File tree
- source
- source_base
- source_cell/module_neighlist
- test
- tests
- 01_PW
- integrate
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