Type map issue in DeepmdData

[yhliu918]

type map may be wrong in init of Deepmddata

In the init function of Deepmddata class, it read type.raw and cast it from local type map (which is read from a system's type_map.raw) to the global type map which is defined in the input.json file. The code is below:

However, for example, in the Al Cu Mg alloy case, the global type map is [Mg, Al, Cu]. If a system only have one elements Al, and the local type_map.raw is [Al]. After process of init, self.type_map would be [Mg], which is incorrect logically.

my deepmd-kit version is v2.0.0.b3, and I print out the type map before and after init cast to identify want I'm trying to say.

[amcadmus]

Could you plz provide the minimal dataset and input script that reproduces the issue?

[njzjz]

If I remember correctly, the type map in all systems should be the same...

[yhliu918]

issue_920.zip It's the same now in a single case, but I mean it should be extend further when we deal with more cases