Numerical SOAP derivatives for periodic systems about dscribe

[Aki78]

We have made a plan to implement soap derivatives, both numerical and analytical, on periodic systems (with some constraints). We will make an effort to finish it by the end of this year.

[Aki78]

Hi,
Thank you for the suggestion. We will see what we can do, and try to get back to you in a few weeks.

[chen-jialan]

Hi,
I want to train the nn potential to predict energy and force for materials. However, when periodic = True, and the derivatives are not realized. So, I hope the derivatives can be applied for materials in the future

[VondrakMar]

Hey, would it be possible to use numerical derivatives for periodic systems if the lines 706 - 709 are deleted? I had tried it, and it worked, but I am not sure if I am not missing something

[lauri-codes]

Could you try installing directly from branch v2.0.0? The numerical derivatives for periodic systems are implemented there, and will be made into a new release soon.

[lauri-codes]

Now available in v2.0.0