package:ase:start []

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==== Interface to the Atomic Simulation environment ====

//"The [[https://wiki.fysik.dtu.dk/ase/|Atomic Simulation environment (ASE)]] is a set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations. The code is freely available under the GNU LGPL license."//

The AseCppaw interface integrates CP-PAW as calculator into the Atom Simulation Environment (ASE). CP-PAW input files can be created and manipulated from
 ASE parameters. CP-PAW tools like paw_do, paw_dosplot, paw_wave and paw_show can be executed within python and the graphical output changed with matplotlib arguments.

=== Documentation ===

[[https://www.kaiserserver.de/AseCppawDoc/index.html|Documentation]]

Manual/documentation createt with Doxygen

=== Examples ===

Example oriented on Chapter 2 of the CP-PAW Hands-On Course on First-Principles Calculations. It covers the same content while showing different ways how to use the AseCppaw interface.

[[package:ase:example_c2|CP-PAW Hands-On Course Chapter 2 example]]

[[package:ase:example_manual|Read CP-PAW manual]]