njzjz/dpamber

why dpamber generate the datasets with box.npy, but still have the nopbc file?

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Renws commented

In set.000 document, it have box.npy, but outside it, there is a nopbc file. The box information need to contain in the training process or not?

njzjz commented

The requirement of the box information is removed in deepmodeling/deepmd-kit#810. Now it is kept for compatibility.

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Renws commented

Is there anything else I need to do with the box information and the nopbc file before I start training the model？

njzjz commented

No.