PotentialDB.jl

Used to store potential energy surfaces calculated with PotentialCalculation.

Package Features

• Implements routines to store calculated potential energy surfaces
• General registry and database for calculated potentials
• Implement own registries and databases for potentials

Installation

To install it is recommended that you first install custom package registy and then install trough standard methodology.

pkg> registry add https://github.com/MatrixLabTools/PackageRegistry
pkg> add PotentialDB