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doc: modify Pt-slab in examples to use a small structure. #3048

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merged 2 commits into from
Oct 8, 2023

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pxlxingliang commented Oct 7, 2023

The original Pt-slab has 27 atoms, which will use about 1000-3000 s (16 MPI parallel cores) to run dipole_correction, compensating_charge, electric_field, implicit_solvation_model. Modify to use a 12 atoms' Pt-slab, and reduce the time to about 100 s.

@dyzheng dyzheng merged commit 39e100a into deepmodeling:develop Oct 8, 2023
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maki49 pushed a commit to maki49/abacus-develop that referenced this pull request Oct 11, 2023
…g#3048)

Co-authored-by: Yike Huang <67682086+kirk0830@users.noreply.github.com>
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