feat(librpa): add reader-v1 producer exports by AroundPeking · Pull Request #8053 · deepmodeling/abacus-develop

AroundPeking · 2026-09-30T06:04:41Z

Summary

Add versioned reader-v1 LibRPA producer outputs under OUT.librpa.
Export split wavefunction, auxiliary, and shrunk auxiliary bases.
Export LRI coefficients, full and cut Coulomb matrices, structure, band, Brillouin-zone, KS eigenvector, and velocity data.
Write distributed KS eigenvectors with MPI-IO.
Add out_librpa_reader_version and document the reader-v1 output protocol.
Add compact producer regressions for nonmagnetic and nspin = 2 cases.
Pass required runtime input and output state explicitly to the RPA producer.

AroundPeking and others added 14 commits September 30, 2026 12:21

test(rpa): add LibRPA reader-v1 producer regression

095bae5

feat(librpa): add reader-v1 producer output

2949be1

feat(librpa): export reader-v1 shrink data

c8bfb47

feat(librpa): export split reader-v1 basis files

8138327

feat(librpa): export reader-v1 producer artifacts

e7ba219

feat(librpa): write reader-v1 KS eigenvectors with MPI-IO

7a3c45d

test(librpa): tighten reader-v1 producer contract

14d10bb

fix(librpa): retain RPA output runtime state

b5ab835

fix(librpa): restore velocity producer output

df54add

fix(librpa): register reader-v1 output protocol

71db95a

refactor(rpa): pass producer runtime state explicitly

3a6effd

fix(librpa): restore legacy MPI writer and upstream timer API

f68794b

docs: sync generated input parameter index

c7365b3

test(librpa): align reader-v1 producer contract

1857625