https://github.com/deepmodeling/dpdata/blob/63068636060a1b865f457ca781dd56d0ba71e6cc/dpdata/system.py#L515-L516 It considers the atom types are in order, but it may not...
dpdata/dpdata/system.py
Lines 515 to 516 in 6306863
It considers the atom types are in order, but it may not...