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fix: wrong use of bessel_nao_rcut #4792

Merged
merged 5 commits into from
Jul 26, 2024
Merged

fix: wrong use of bessel_nao_rcut #4792

merged 5 commits into from
Jul 26, 2024

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Qianruipku
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Fix #4785

What's changed?

  • remove bessel_nao_rcut
  • change the parameters of function output_overlap.

@Qianruipku Qianruipku requested a review from kirk0830 July 25, 2024 08:19
@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Jul 25, 2024
@Qianruipku Qianruipku merged commit 7a6fe6d into deepmodeling:develop Jul 26, 2024
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@kirk0830 kirk0830 kirk0830 approved these changes

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Successfully merging this pull request may close these issues.

Bug: bessel_nao_rcut cannot work as expected since ABACUS 3.7.1
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@Qianruipku @kirk0830 @mohanchen