Eric Lindgren

Results 3 issues of Eric Lindgren

Implementation of the forces for NEP4 as described in the overleaf document. Currently work in progress.

The integration test for dump_observer:average is failing, with the predicted averages and forces almost being the same, but not quite. ![image](https://github.com/brucefan1983/GPUMD/assets/27208255/bfab5e80-89cb-49c6-8b9f-4b9a973aa12a) I dug a bit deeper in this, and I've...

bug

Hi! I want to use the included `traefik` reverse proxy to also handle requests to an additional webserver I'm running in a docker container on the same server as all...