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Refactor:remove MPI part funcs of ucell #5810

Merged
merged 21 commits into from
Jan 8, 2025
Merged

Refactor:remove MPI part funcs of ucell #5810

merged 21 commits into from
Jan 8, 2025

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A-006
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@A-006 A-006 commented Jan 4, 2025

Unit Tests and/or Case Tests for my changes

  • Add unittest for the bcast_Magnegtism,bcast_lattice.

What's changed?

  • Add bcast_lattice,bcast_Magnegtism for bcast_unitcell.
  • Modify the name of bcast_unitcell2 to bcast_atom_pesduo to make it clearer.
  • Change the bcast_unitcell into three parts(bcast_Magnegtism,bcast_lattice,bcast_atom_tau).

@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Jan 5, 2025
@mohanchen mohanchen merged commit 464c7a1 into deepmodeling:develop Jan 8, 2025
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kluophysics pushed a commit to kluophysics/abacus-develop that referenced this pull request Jan 10, 2025
@A-006 @pre-commit-ci-lite @kluophysics
Refactor:remove MPI part funcs of ucell (deepmodeling#5810)
5fe5c6b 
* modify bcast ucell and add func for ucell

* delete bcast_ucell2

* modify bcast name

* add unit test for the bcast

* add exx for compile

* modify back atom_tau

* add bcast atom pseudo

* fix bug in the bcast

* change string* to vector<string>

* fix bug in the file

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

* fix bug in compile

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

* fix compile bug in deepks test

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

* fix bug in ucell test

---------

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

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