Add AIMNET2 harness

[jthorton]

Description

This PR adds an interface to the new AIMNET2 models via a small utility package pyaimnet2 which allows access to the models via python.

Changelog description

Status

• Code base linted
• Ready to go

[codecov]

Codecov Report

Merging #443 (e0a53a0) into master (f5f6da3) will decrease coverage by 2.65%.
The diff coverage is 94.80%.

Additional details and impacted files

[loriab]

Perhaps go ahead and rebase this to fix the conflicts. CI should pass now.

As an AI model, is this training-to-emulate the 3c, etc. methods? I'm checking that I understand why the dftd3/d4/gcp programs aren't dependencies.

[jthorton]

Thanks @loriab this should be ready to go now!

As an AI model, is this training-to-emulate the 3c, etc. methods? I'm checking that I understand why the dftd3/d4/gcp programs aren't dependencies.

Yes I think the b973c model is trained to the whole composite method energies whereas the wb97m-d3 model has a pytorch implementation of D3 which is part of the model.

[jthorton]

@loriab this should be good to go now, let me know if you spot anything else!

[loriab]

lgtm, thanks!

CI is fine in a fresh PR, and the failing lane shouldn't be hitting this content, so merging.

[jthorton]

Thanks @loriab !