Support binary LCAO wavefunction input - #7863
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Summary
read_wfc_lcaoto select text (1) or binary (2) LCAO wavefunction input without format detection or fallbackout_wfc_lcao 2layout for Gamma-only and multi-k calculations, including type conversion and file/index/dimension validationdouble,float, complex, skipped bands, mismatched formats, truncated input, and existing text inputBinary compatibility
The reader intentionally follows the existing native
int/doublewriter protocol. It does not add magic/version fields or cross-ABI, cross-endian compatibility, and it does not read files accumulated without_app_flag.Verification
cmake --build build --target abacus_basic_omp -j2OMP_NUM_THREADS=1 ctest --test-dir /tmp/abacus_wfc_binary_mpi_mpicxx --output-on-failure -R 'MODULE_IO_(read_item_serial|read_wfc_nao_test|write_wfc_nao)'(5/5 passed, including 2-rank MPI)out_wfc_lcao 2->read_wfc_lcao 2end-to-end runs withOMP_NUM_THREADS=1./build/abacus_basic_omp -h read_wfc_lcao./build/abacus_basic_omp --check-inputfor both end-to-end inputsdocs/parameters.yamlanddocs/advanced/input_files/input-main.md; fresh generation matches both filesgit diff --checkpython3 tools/03_code_analysis/agent_governance_check.py --staged --format text#6206