Xie Qiming

It seems that only the three elements C, N, and H and the corresponding pseudopotentials are considered in the code, and once there are other elements in the system, the...

Hi @Cloudac7 : Could you please provide the following example files: An example of the CP2K inp file. A corresponding input.json file for dpgen2. These example files would be incredibly...

Thank you for your response. I checked the first configuration in `iter-000000--run-lmp-000000` and examined the `model_devi` output. It appears that the `min_devi_v` values from all 17 LAMMPS runs are around...

Thank you for your response. I checked the configuration in `iter-000001--run-lmp-000000` and examined the `model_devi` output. Below is the relevant data from the `model_devi` file: ``` # step max_devi_v min_devi_v...