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Feature: New method to dynamically change symmetry_prec during cell-relax#2736

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Qianruipku merged 3 commits into
deepmodeling:developfrom
maki49:symmetry_auto
Jul 20, 2023
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Feature: New method to dynamically change symmetry_prec during cell-relax#2736
Qianruipku merged 3 commits into
deepmodeling:developfrom
maki49:symmetry_auto

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@maki49

@maki49 maki49 commented Jul 19, 2023

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fix #2723 by dynamically change symmetry_prec
(an infinitesimal symmetry_prec is equavalent to symmetry=0).

Details of the new method and test results: new_symmetry_prec_cell_relax.pdf

@Qianruipku Qianruipku merged commit aadf552 into deepmodeling:develop Jul 20, 2023
@maki49 maki49 deleted the symmetry_auto branch April 17, 2024 02:39
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Automatic adjustment of 'symmetry' from 1 to 0

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