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See #338 |
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Hello everyone.!
I'm using the dpdata software package for data format conversion for the first time. The goal is to convert the AIMD data format generated by VASP into the DeePMD format, so that it can be used to train a model with DeePMD-kit later. However, when I ran the Python code, I got the following error:” ValueError: cannot find forces in OUTCAR block.“ But there are indeed force data in my OUTCAR file. I would be extremely grateful if anyone could give me some suggestions and help. Below are my Python script and OUTCAR file.
dpdata.zip
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