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deepmodeling / dpnegf Public

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Refactor RGF logic and update parameter types for PyTorch compatibility#26

Merged

AsymmetryChou merged 6 commits into

deepmodeling:maindeepmodeling/dpnegf:mainfrom

AsymmetryChou:rgf_accAsymmetryChou/dpnegf-dpm:rgf_accCopy head branch name to clipboard

Jun 11, 2026

Conversation Commits6 (6)Checks Files changed

Merged

Refactor RGF logic and update parameter types for PyTorch compatibility#26
AsymmetryChou merged 6 commits into
deepmodeling:mainfrom
AsymmetryChou:rgf_acc

Commits

Commits on Jun 8, 2026

将函数参数类型从 numpy.ndarray 更改为 torch.Tensor，以支持 PyTorch 兼容性
 AsymmetryChou
committed

Commits on Jun 10, 2026

update docstring in RGF
AsymmetryChou
committed
Refactor the logic of RGF by adding need_lesser/need_greater/need_gr_lc to control
AsymmetryChou
committed
update logic by adding need_lesser/need_greater/nedd_gr_lc
AsymmetryChou
committed
在 NEGF 类中添加 need_lesser、need_greater 和 need_gr_lc 参数以优化内存使用
 AsymmetryChou
committed
add nedd_lesser in cal_green_function
AsymmetryChou
committed

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