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Refactor: optimized cubic spline #4081

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merged 18 commits into from
May 5, 2024

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@jinzx10 jinzx10 commented Apr 30, 2024

Reminder

  • Have you linked an issue with this pull request?
  • Have you added adequate unit tests and/or case tests for your pull request?
  • Have you noticed possible changes of behavior below or in the linked issue?
  • Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

Linked Issue

This PR is part of #4079

Unit Tests and/or Case Tests for my changes

The relevant unit tests are re-designed.

What's changed?

The cubic spline class is redesigned to enable faster evaluation in the following two situations:

  • evaluate a single interpolant at multiple places;
  • evaluate multiple interpolants that share the same knots at a single place.

Any changes of core modules? (ignore if not applicable)

No.

@jinzx10 jinzx10 changed the title Refactor: optimize cubic spline Refactor: optimized cubic spline Apr 30, 2024
@jinzx10 jinzx10 marked this pull request as ready for review May 1, 2024 15:13
@jinzx10 jinzx10 requested a review from dyzheng May 1, 2024 15:13
@jinzx10 jinzx10 requested a review from mohanchen May 4, 2024 10:11
@mohanchen mohanchen merged commit 48f2b5d into deepmodeling:develop May 5, 2024
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@jinzx10 jinzx10 deleted the optimize_cubic_spline branch May 5, 2024 08:48
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2 participants