This is a straightforward translation of the geometry optimization interface in JuLIP.jl to the AtomsBase / AtomsCalculators eco-system. It is intended to be entirely temporary until GeometryOptimization.jl matures sufficiently.
At the moment of writing this package, it is in some ways more restrictive than GeometryOptimization and much more opinionated. But on the other hand it has a more structured approach to non-dimensionalization, it is easier to use, and aims to provide usable interfaces for saddle search and MEPs.
Because this is intended as a temporary package rather than an alternative to GeometryOptimization.jl I am currently not planning to register it in General, but only in the ACE registry. To install the package first setup the ACE registry
] registry add https://github.com/ACEsuit/ACEregistry.git
and then add the package as usual
] add GeomOpt
For now, please read the unit tests.