Refactor Parallel Codes#7478
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…uplicate specializations - Add MPI_Type<T> template struct to map C++ types to MPI_Datatype - Replace 30+ duplicate template specializations with 8 generic templates - Add explicit instantiations for all required types - Maintain full backward compatibility
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June 17, 2026 12:50
…tom(int iat), same for row
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* initial version of writing H and dH terms (except exx) * correct 1-electron terms: T, Vl, Vnl * fix pot register * Gint_drho * add EXX H&dH, dH (H-F term) of Veff Hartree, and refactor * add dm_container_to_Ds and exx nscf-from-dm workflow; minor refactor OperatorEXX * fix parallel segfaults and kinetic sign * XC H-F term (FD) * enable value-adding HContainers, total dH and atom-specified output; enable nspin=2 * dH test cases * exclude cal_exx_dHs with __EXX_DEV flag, waiting for LibRI PR merged * small fixes * change scf_in_dmr ref due to not renormalizing charge at init_chg==dm * fix conflict #7462 #7475 #7478 * Revert reference change by adding option dm_no_renormalize to init_chg This reverts commit ed14d9f. * fix pyabacus CI
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Refactor Parallel Codes