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Fix: boost Davidson by removal of useless scc #4874

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merged 3 commits into from
Oct 23, 2024

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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
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Question: Davidson slowed down by maintaining unneeded scc array
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