Refactor: convert ia-it nested loops to iat flat loops with OpenMP in ESolver_DP#7394
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chengleizheng wants to merge 1 commit into
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Refactor: convert ia-it nested loops to iat flat loops with OpenMP in ESolver_DP#7394chengleizheng wants to merge 1 commit into
chengleizheng wants to merge 1 commit into
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…t2ia lookup arrays and added #pragma omp parallel for guarded by #ifdef _OPENMP in runner() coord building, runner() force assignment, and type_map() atype assignment.
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Replaced ia-it nested loops with flat iat loops using ucell.iat2it/iat2ia lookup arrays and added #pragma omp parallel for guarded by #ifdef _OPENMP in runner() coord building, runner() force assignment, and type_map() atype assignment.