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Hi, I already have my own datasets whose format is not supported by dpdata. Some of my data has been uploaded, and it is constructed as follows:
energy (tag ‘C F’ if crystal, ‘F’ if not) stress (if any)
cell parameters (only if tag ‘C F’)
number of atoms
information about the atoms (types, coordinates, force).
I would like to convert my dataset into a dataset for deepmd potential training. How should I do this please? Thanks!
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Hi, I already have my own datasets whose format is not supported by dpdata. Some of my data has been uploaded, and it is constructed as follows:
energy (tag ‘C F’ if crystal, ‘F’ if not) stress (if any)
cell parameters (only if tag ‘C F’)
number of atoms
information about the atoms (types, coordinates, force).
I would like to convert my dataset into a dataset for deepmd potential training. How should I do this please? Thanks!
database.txt
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