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They are of the same chemical type. the phases are distinguished by the coordinates of neighbor atoms. |
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Summary
Can deepmd distinguish between O in the bulk phase and O in the gas?
DeePMD-kit Version
2.1.5
Backend and its version
TensorFlow v2.15.0
Python Version, CUDA Version, GCC Version, LAMMPS Version, etc
No response
Details
If possible, is it possible to classify O in the bulk phase and O in the gas, such as using O1 and O2 as different descriptors to describe their surrounding environment
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