-
### Summary
I am compiling LAMMPS with the USER-DEEPMD package following the same steps I have used dozens of times on different machines. First I clone deepmd-kit from github, install with pip and…
-
### Summary
Currently, we have a benchmark of network size in the [FAQ](https://docs.deepmodeling.com/projects/deepmd/en/latest/troubleshooting/howtoset_netsize.html). I think we should choose some…
-
### Summary
I wanted to ask about a technical aspect of DeePMD. Is there a way by which I can load DPs as TF models and perform backprop externally, like on a jupyter notebook. I am able to use DPs i…
-
**Environment:**
1. Framework: TensorFlow
2. Framework version: 2.3.0
3. Horovod version: 0.22.3
4. MPI version: Intel MPI 2017.5.239
5. CUDA version: 10.1
6. NCCL version: 2.8.3
7. Python vers…
-
### Bug summary
When using DPA-2 model in 2024Q1 branch trained with virial switched on, the lammps results will give thermal conductivity around zero.
The training is in multitask-finetune mode, …
-
**Summary**
When executing `dpgen autotest post property.json` to calculate interstitial properties, one may encounter such problem.
```
Traceback (most recent call last):
File "/opt/anaconda3/b…
-
Hi, I was very excited to see this project, would love to link through to Tensorflow docs.
As instructed, my `conf.py` looks like this:
```
extensions = [
'sphinx.ext.autodoc',
'sphin…
-
**Prettier 3.2.5**
[Playground link](https://prettier.io/playground/#N4Igxg9gdgLgprEAuEBaABAZxgTwDZwA6hA+lAIYC2c6AvOgFQAmADngE4OFQbb5GkK1OuhKsOJbr1wEyVGvTFt2JEABoQEFjACW0TMlDl27CAHcACsYQGU5PGfI4DGgEb…
njzjz updated
5 months ago
-
**Summary**
Since in dpmd v2.0.0, tensor like dipole is supported, I am wondering if tensor data prep is under the way.
**Detailed Description**
I am conducting ab initio calculations based o…
-
### Summary
When I use dpgen run param.json machine.json to run a job, I frequently get errors: paramiko.ssh_exception.AuthenticationException: Authentication failed.
### DeePMD-kit Version
…