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Similarly as with AtomsBase I find the specification of what exactly is the interface could be made clearer. In my case I missed the promote_force_type discussion. It's kind of there but very hidden and it really isn't clear that this is something that a new calculator should implement. Just an example.
No rush to address this until the interface has settled a bit but eventually I would appreciate a discussion how to make this as simple and as clear as possible.
The text was updated successfully, but these errors were encountered:
Similarly as with AtomsBase I find the specification of what exactly is the interface could be made clearer. In my case I missed the
promote_force_type
discussion. It's kind of there but very hidden and it really isn't clear that this is something that a new calculator should implement. Just an example.No rush to address this until the interface has settled a bit but eventually I would appreciate a discussion how to make this as simple and as clear as possible.
The text was updated successfully, but these errors were encountered: