[BUG] No error reported when data's element is not present in input.json

[Chengqian-Zhang]

Bug summary

When there are elements in the data that are not present in input.json, no error will be reported. For example, when element D is in type_map.raw, but D is not in type_map of input.json, the training process is normal.

DeePMD-kit Version

devel

Backend and its version

pytorch

How did you download the software?

Offline packages

Input Files, Running Commands, Error Log, etc.

See above

Steps to Reproduce

See above

Further Information, Files, and Links

No response

[njzjz]

Unable to reproduce.

  File "/home/njzjz/codes/deepmd-kit/deepmd/utils/data.py", line 94, in __init__
    type_map.index(self.type_map[ii]) for ii in self.atom_type
    ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
ValueError: 'D' is not in list

[Chengqian-Zhang]

This error appears when self.mixed_type=True. Sorry I overlooked this condition.