A package for rapid implementation and testing of new interatomic potentials and molecular simulation algorithms. Requires v0.5 or v0.6 of Julia. Current development is for Julia v0.6.x. Documentation is essentially non-existent but the inline documentations is reasonably complete.
The design of
JuLIP is heavily inspired by ASE.
The main motivation for
JuLIP is that, while
ASE is pure Python and hence
relies on external software to efficiently evaluate interatomic potentials,
Julia allows the implementation of fast potentials in pure Julia, often in just
a few lines of code.
ASE bindings compatible with
JuLIP are provided by
Install JuLIP, from the Julia REPL:
to make sure the installation succeeded. If a test fails, please open an issue.
Most likely you will also want to ASE bindings; please see ASE.jl for more detail.