how do I convert raw to dpmd? #253
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Wangmumu0403
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I have found the solution. |
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I have box.raw coord.raw energy.raw force.raw type_map.raw type.raw virial.raw
I use cp2k and I have prepare the raw file, now I need to convert it to dpmd/,
I have trouble in writing this datatransform.py bash.
could you help me ?
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