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Refactor:Remove Ucell::update_pos_taud #5794

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Merged
merged 10 commits into from
Jan 5, 2025
Merged

Refactor:Remove Ucell::update_pos_taud #5794

merged 10 commits into from
Jan 5, 2025

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@A-006 A-006 commented Jan 2, 2025 •
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Unit Tests and/or Case Tests for my changes

  • The relax_new doesn't run the the update_pos_taud,so in the unit test of the relax_new,it doesn't run the periodic_boundary_adjustment,in order to test the whole function,modify the input paramter to pass the periodic_boundary_adjustment,and modify the result of the func
  • Add unittest for the update_pos_taud in vector3

What's changed?

  • remove the update_pos_taud

@A-006 A-006 marked this pull request as draft January 2, 2025 10:45
@A-006 A-006 marked this pull request as ready for review January 3, 2025 06:19
mohanchen
mohanchen reviewed Jan 4, 2025
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@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Jan 4, 2025
@mohanchen mohanchen merged commit 4ddec65 into deepmodeling:develop Jan 5, 2025
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@AsTonyshment AsTonyshment mentioned this pull request Mar 26, 2025
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Fisherd99 pushed a commit to Fisherd99/abacus-BSE that referenced this pull request Mar 31, 2025
@A-006 @pre-commit-ci-lite @Fisherd99
Refactor:Remove Ucell::update_pos_taud (deepmodeling#5794)
b2945eb 
* update the update_pos_taud

* change func with vector3 update_pos_taud

* modify the input format

* add unittest for the update_pos_tau

* update test for relax_new

* add update_vel for ucell

* [pre-commit.ci lite] apply automatic fixes

---------

Co-authored-by: pre-commit-ci-lite[bot] <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
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@A-006 @mohanchen