transform format from "deepmd" to "ABACUS" #503
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AroundPeking
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you may dump data to a file of a certain format with https://docs.deepmodeling.com/projects/dpdata/en/master/#dump-data |
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I had a dataset in format "deepmd" like
*.npy
, which is the output ofdpgen simplify
. And I would like to transform them to a lot of abacus structure filesSTRU
. How can I do it?Thanks for your help.
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