deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics
https://docs.deepmodeling.com/projects/deepmd/
GNU Lesser General Public License v3.0
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[Feature Request] add `se_atten_v2` and redirect `dpa1` to `se_atten_v2` #3831

Closed njzjz closed 1 month ago

njzjz commented 1 month ago

Summary

Detailed Description

Per discussion.

Further Information, Files, and Links

No response

iProzd commented 1 month ago

Maybe no need to redirect dpa1 to se_atten_v2? dpa1 is equivalent to se_atten from original definition, while se_atten_v2 is a special case of dpa1 to use strip structure.