Duo
Duo
We will remove support for `set_prefix`.
@hztttt Please review this PR, which fixes the nlist bugs in DPA2. (It seems I can not explicitly assign you as a reviewer.)
Two bugs: 1. need buffer region for spin nlist. 2. sel is too small for **dpa2 with spin** (rcut 6.0 with sel 30), where they may sometimes select different self...
https://github.com/deepmodeling/deepmd-kit/pull/3718/commits/c91db5256c68af79e936d4030c1c7419343532dc adds docs for spin in PyTroch/DP. But the data format (old/new) stills need a detail doc, i've opened a issue (#3760 ) about that. Need help from @hztttt ....
@wangyi01 To help us locate your problem, please provide the following information if possible: - Your code version - The exact finetuning command you used - The input files you...
See discussion https://github.com/deepmodeling/deepmd-kit/discussions/3689
> Idea: the easiest way is to add a virtual `Model`, "adapt type map model", which just adapts the input `atom_type` from the outer model `type_map` to the inner model...
This PR is merged into https://github.com/deepmodeling/deepmd-kit/pull/3696
I've tried v2.2.1(the same image reported) and v2.2.7, using the same model OC_10M.pb to finetune on the examples/water/se_atten/input.json, and they both work well. And I also tried simply change the...
This PR will be closed as discussed.