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Version 10 (Torsten Kerber, 18/03/2011 10:40) → Version 11/32 (Torsten Kerber, 18/03/2011 19:47)

h1. Introduction

QMX is an QM/MM Embedding Scheme for ASE

h1. Installation

h2. Required Programs

* Python 2.6
* NumPy

h2. Checkout the latest version

<pre>
svn @svn checkout https://forge.cbp.ens-lyon.fr/svn/qmx
</pre> @

h2. Install the Program (in qmx directory)

install for all users (admin rights might be required)
<pre>
>@ python setup.py install
</pre>

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install for single user only:
<pre>
>@ python setup.py install --user
</pre>

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h1. How to quote

* ASE
* QMX