Dipole moment inference not working

[jakubks]

Hi all,
Since upgrading DeepMDkit to the latest version, I can't get the dipole inference to work in Python (training works fine and so does energy/force inference).

"from deepmd.infer import DeepDipole" command gives me an import error

Replacing it with "from deepmd.infer.deep_dipole import DeepDipole" works but the inference seems to produce random numbers.

[anyangml]

Hi all, Since upgrading DeepMDkit to the latest version, I can't get the dipole inference to work in Python (training works fine and so does energy/force inference).

"from deepmd.infer import DeepDipole" command gives me an import error

Replacing it with "from deepmd.infer.deep_dipole import DeepDipole" works but the inference seems to produce random numbers.

Hi @jakubks , I need a bit more information to help me debug your issue. Can you please answer the following questions:

1. Before upgrading DeepMD-kit, was the import command working "from deepmd.infer import DeepDipole"? if so what was the version of the code? I didn't see we ever implemented DeepDipole in the init file in the change log.
2. Can you please provide a reproducible example where you claim it's producing random numbers, and what's the expected output?

[jakubks]

1. Yes, in the DeepMD 2.1.5.
2. Sorry - that was my bad (unrelated mistake).