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[Feature Request] use eval_descriptor function in command-line #4503

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QuantumMisaka opened this issue Dec 25, 2024 · 0 comments
Open

[Feature Request] use eval_descriptor function in command-line #4503

QuantumMisaka opened this issue Dec 25, 2024 · 0 comments

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@QuantumMisaka
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Summary

Now we can only use eval_descriptor function under DeepPot class to get descripor matrix of DP model, could it possible to run this function in command line like what is done in dp test?

Detailed Description

One possible usage: dp eval_desc -m [model] -s [dataset] {-o ['desc']} for generate descriptors in desc/(name_of_system_in_dataset).npy

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