# ASE¶

Description:
Atomic Simulation Environment version 3.9.1. ASE is used as a scripting environment for the automatized manipulation of chemical systems and quantum chemical calculation prescriptions to compute various chemical and physical properties as well as to perform MD simulations within FlexMD.
Site:
https://wiki.fysik.dtu.dk/ase/overview.html
Reference:
If you find ASE useful in your research please cite S.R. Bahn and K. W. Jacobsen An object-oriented scripting interface to a legacy electronic structure code Comput. Sci. Eng., Vol. 4, 56-66, 2002

GNU Lesser General Public License version 2.1

ASE is free software: you can redistribute it and/or modify