search

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
1.41k stars 486 forks source link

[Feature Request] refactor the function interface in deepmd/pt/entrypoints/main.py #3934

Open iProzd opened 3 days ago

iProzd commented 3 days ago

Summary

Refactor the function interface in deepmd/pt/entrypoints/main.py, to use explicit input instead of FLAGS.

Detailed Description

see above.

Further Information, Files, and Links

No response