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This is something that should be implemented in dpdata: https://github.com/deepmodeling/dpdata/blob/master/dpdata/lammps/lmp.py |
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I am trying to use dpgen with a GCMC simulation to generate data. However, I noticed that all confs generated by dpgen is in atom_style: atomic, which I want to convert into full style for GCMC. Is it possible in dpgen or do I need to change the codes?
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