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Fix module_hs sparse output controls#7510

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goodchong wants to merge 4 commits into
deepmodeling:developfrom
goodchong:inandout
Open

Fix module_hs sparse output controls#7510
goodchong wants to merge 4 commits into
deepmodeling:developfrom
goodchong:inandout

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@goodchong

@goodchong goodchong commented Jun 23, 2026

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Summary

  • stabilize module_hs sparse CSR threshold counting and r(R) header generation
  • wire out_mat_t/dh/ds/r precision options into sparse writers while preserving legacy defaults
  • add regression coverage for dH/dS sparse CSR, SOC directions, r(R) finalization, and single-R precision

Tests

  • git diff --check
  • g++ -std=c++11 -Isource -c source/source_io/module_hs/rr_sparse_writer.cpp -o /tmp/rr_sparse_writer.o
  • g++ -std=c++11 -Isource -c source/source_io/module_hs/single_R_io.cpp -o /tmp/single_R_io.o
  • docker run ghcr.io/deepmodeling/abacus-gnu:latest cmake --build build-ci-nodftd4 -j8
  • docker run ghcr.io/deepmodeling/abacus-gnu:latest ctest --test-dir build-ci-nodftd4 -V -R "MODULE_IO_single_R_test|MODULE_IO_write_hs_r_compat_test|MODULE_IO_restart_exx_csr_test"

Note: local Docker validation used the GNU CI image with ENABLE_DFTD4=OFF because the local container image did not have xz available for bootstrapping dftd4.

@goodchong goodchong requested a review from mohanchen June 23, 2026 05:31
@mohanchen mohanchen added Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes labels Jun 25, 2026
@mohanchen

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please use g++ -std=c++11 instead of g++ -std=c++17

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Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes

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