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Published 20 hours ago • verified publisher icon deepmodeling

How to get the atom.npy/energy.npy/force.npy for deepks training?

Open yycx1111 opened this issue 9 months ago • 0 comments

Description： The format generated using dpdata is suitable for deepmd but not for deepks training. Question：

  1. How to generate the .npy files in the deepks training set？

yycx1111 avatar May 17 '24 07:05 yycx1111