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@Cstandardlib Cstandardlib commented Aug 3, 2024

Linked Issue

Fix #4856
Related #3447

What's changed?

  • Remove scc computed but never used in Davidson algorithm, which accounts for a large portion of computation in Davidson.

Benchmark

  • Tests will be made on the performance of the optimized algorithm.

@Cstandardlib Cstandardlib changed the title Fix: boost davidson by removal of useless scc Fix: boost Davidson by removal of useless scc Aug 3, 2024
@Cstandardlib Cstandardlib reopened this Oct 17, 2024
@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Oct 22, 2024
@Cstandardlib Cstandardlib marked this pull request as ready for review October 23, 2024 17:38
@mohanchen mohanchen merged commit bab929f into deepmodeling:develop Oct 23, 2024
14 checks passed
@Cstandardlib Cstandardlib deleted the remove-useless-scc branch December 13, 2024 08:03
Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
…4874)

Co-authored-by: Haozhi Han <haozhi.han@stu.pku.edu.cn>
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Question: Davidson slowed down by maintaining unneeded scc array

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