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build neighbor list with external Python program #3046

Merged
merged 6 commits into from
Dec 11, 2023
Merged

build neighbor list with external Python program #3046

merged 6 commits into from
Dec 11, 2023

Commits on Dec 6, 2023

  1. build neighbor list with external Python program 

    Fix deepmodeling#2877

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
    @njzjz
    njzjz committed Dec 6, 2023
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  2. kk 

    Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
    @njzjz
    njzjz committed Dec 6, 2023
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Commits on Dec 8, 2023

  1. fix bugs 

    Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
    @njzjz
    njzjz committed Dec 8, 2023
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  2. add docstring 

    Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
    @njzjz
    njzjz committed Dec 8, 2023
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  3. add support for deep dipole 

    Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
    @njzjz
    njzjz committed Dec 8, 2023
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  4. support deeppolar; support ase 

    Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
    @njzjz
    njzjz committed Dec 8, 2023
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