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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
Further Information, Files, and Links
No response
The text was updated successfully, but these errors were encountered:
Summary
Now we can only use
eval_descriptor
function underDeepPot
class to get descripor matrix of DP model, could it possible to run this function in command line like what is done indp 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).npyFurther Information, Files, and Links
No response
The text was updated successfully, but these errors were encountered: