README.md

ACEmd

This is a test package to make API for ACE molecular dynamics that can be used by other packages.

Install

Install ACE repo, if you haven't done so yet

] registry add https://github.com/ACEsuit/ACEregistry.git

After that

using Pkg
Pkg.add("ACEmd")

Note that, if you want to do ACE calculations in Molly, you need to add both Molly and ACEmd to the same environment. Otherwise the package extension does not load.