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I am trying to parse multiple systems, and ran into "exceeded index" issues. After some debugging I noticed that the |
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After looking through the source code, I see that there is a default set_size for formatting which is 5000. This can be fixed by setting the set_size when calling |
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After looking through the source code, I see that there is a default set_size for formatting which is 5000. This can be fixed by setting the set_size when calling
.to_deepmd_npy