Skip to content

Implementation of Shenvi, Roy and Tullies (2009) Independent Electron Surface Hopping algorithm for use at the Max-Planck-Insititute for biophysical Chemistry Göttingen, Department Dynamics at Surfaces.

Notifications You must be signed in to change notification settings

braza2/Goe_iesh

Repository files navigation

Goe_iesh

This code base is using the Julia Language and DrWatson to make a reproducible scientific project named

Goe_iesh

It is authored by Belal Raza.

To (locally) reproduce this project, do the following:

  1. Download this code base. Notice that raw data are typically not included in the git-history and may need to be downloaded independently.
  2. Open a Julia console and do:
    julia> using Pkg
    julia> Pkg.add("DrWatson") # install globally, for using `quickactivate`
    julia> Pkg.activate("path/to/this/project")
    julia> Pkg.instantiate()
    

This will install all necessary packages for you to be able to run the scripts and everything should work out of the box, including correctly finding local paths.

About

Implementation of Shenvi, Roy and Tullies (2009) Independent Electron Surface Hopping algorithm for use at the Max-Planck-Insititute for biophysical Chemistry Göttingen, Department Dynamics at Surfaces.

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages