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Refactor hpsi_func in hsolver #5202

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Merged
merged 19 commits into from
Oct 5, 2024
Merged

Refactor hpsi_func in hsolver #5202

merged 19 commits into from
Oct 5, 2024

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@Cstandardlib Cstandardlib commented Oct 4, 2024 •
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Linked Issue

Fix #5178

What's changed?

  • hpsi_func used by dav/dav_subspace will take parameters in a (in, out, leading dimension, number of vectors) manner.
  • Consequently, the code (including tests and Python interface) responsible for calling davidson&dav_subspace and hpsi_func construction are also updated to align with these changes.

Note

  • This change does not affect hpsi_func about cg method, taking Tensor-typed parameters.

@Cstandardlib Cstandardlib marked this pull request as ready for review October 4, 2024 08:15
mohanchen
mohanchen reviewed Oct 5, 2024
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@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Oct 5, 2024
@mohanchen mohanchen merged commit 72b1d7c into deepmodeling:develop Oct 5, 2024
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@Cstandardlib Cstandardlib deleted the refactor-hpsi branch October 5, 2024 14:51
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Confusing Interface of hPsi

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