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Title: refactor(rpa): move LibRPA producer into module_rpa - #8154

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mohanchen merged 9 commits into
deepmodeling:developfrom
AroundPeking:abacus-librpa-module-layout-oct15
Oct 17, 2026
Merged

mohanchen merged 9 commits into
deepmodeling:developfrom
AroundPeking:abacus-librpa-module-layout-oct15

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@AroundPeking

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Problem

After the reader-v1 producer exports were merged in #8053, the LibRPA producer implementation still lived under module_ri. This mixed RPA-owned export and symmetry code with the RI implementation and obscured the dependency direction.

Change

Move the LibRPA producer sources and unit tests into module_rpa. Add focused module_librpa_io helpers for Brillouin-zone sampling, structure symmetry, and unit conversion, and add SOC-symmetry producer coverage. Keep RI as a lower-level dependency used by RPA, without adding RPA dependencies to module_ri.

@mohanchen

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@ABACUS-PR-BOT please review this PR

Comment thread tests/08_RI/63_librpa_soc_symmetry/INPUT
@mohanchen mohanchen added Refactor Refactor ABACUS codes EXX/lr-TDDFT/RPA/BSE/GW Related to beyond DFT methods The Absolute Zero Reduce the "entropy" of the code to 0 labels Oct 15, 2026

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Static review at 0b686d8838fc, independently reviewed by two agents. Two P2 findings are detailed inline. The pinned governance and whitespace checks returned no errors; builds and runtime tests were not run, and CI diagnostics were unavailable.

Non-blocking: please add the exact validation commands and outcomes (including checks not run) to the PR description, plus a short description or authoritative link for the new reader-v1 SOC spin_symmetry tail, or a concrete no-docs-needed rationale.

Comment thread source/source_lcao/module_rpa/rpa_lri_sym.cpp Outdated
Comment thread tests/08_RI/63_librpa_soc_symmetry/librpa_producer_manifest.json
Comment thread source/source_lcao/module_rpa/module_librpa_io/librpa_stru_symmetry.h Outdated
@AroundPeking
AroundPeking force-pushed the abacus-librpa-module-layout-oct15 branch from 627e641 to 01bb5eb Compare October 16, 2026 10:20
@mohanchen
mohanchen merged commit 73cd094 into deepmodeling:develop Oct 17, 2026
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EXX/lr-TDDFT/RPA/BSE/GW Related to beyond DFT methods Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0

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3 participants