Refactor i-PI socket driver - #7939

Open

mohanchen wants to merge 13 commits into

deepmodeling:developfrom

mohanchen:2026-09-09-line2

Commits on Sep 9, 2026

refactor(relax): extract socket driver helpers into socket_driver_utils
abacus_fixer
committed
33fc2df
refactor(relax): split socket_driver main loop into per-message handlers
abacus_fixer
committed
064cf5b
refactor(relax): extract socket frame math helpers into socket_frame_utils
abacus_fixer
committed
a839c93
refactor(relax): decompose validate_ipi_cell into focused validation stages
abacus_fixer
committed
0dc47c3
refactor(relax): split make_ipi_virial into validation and computation helpers
abacus_fixer
committed
9c555da
style(relax): rename socket constants to kCamelCase and fix long lines
abacus_fixer
committed
6d22669
refactor(relax): use Parallel_Reduce and Parallel_Common wrappers in socket driver
abacus_fixer
committed
fdc1d5e
fix(build): add new socket source files to Makefile.Objects
abacus_fixer
committed
2ba72f2
test(relax): run socket_driver_test under MPI and remove redundant MPI guards
abacus_fixer
committed
3fea6ec
refactor(relax): KISS rename socket files, namespaces, and functions
abacus_fixer
committed
0f6cc11
refactor(relax): rename socket test files to test_ prefix
abacus_fixer
committed
e8b95cc
Merge branch 'develop' into 2026-09-09-line2
mohanchen
authored
ee62cf8
fix(socket_utils): guard direct MPI calls with #ifdef __MPI
abacus_fixer
committed
abd84fe