Wiki
Version 10 (Torsten Kerber, 18/03/2011 10:40)
| 1 | 9 | Torsten Kerber | h1. Introduction |
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| 2 | 9 | Torsten Kerber | |
| 3 | 9 | Torsten Kerber | QMX is an QM/MM Embedding Scheme for ASE |
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| 5 | 1 | Torsten Kerber | h1. Installation |
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| 7 | 8 | Torsten Kerber | h2. Required Programs |
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| 9 | 8 | Torsten Kerber | * Python 2.6 |
| 10 | 8 | Torsten Kerber | * NumPy |
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| 12 | 1 | Torsten Kerber | h2. Checkout the latest version |
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| 14 | 7 | Torsten Kerber | @svn checkout https://forge.cbp.ens-lyon.fr/svn/qmx |
| 15 | 2 | Torsten Kerber | @ |
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| 17 | 4 | Torsten Kerber | h2. Install the Program (in qmx directory) |
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| 19 | 5 | Torsten Kerber | install for all users (admin rights might be required) |
| 20 | 6 | Torsten Kerber | >@ python setup.py install |
| 21 | 5 | Torsten Kerber | @ |
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| 23 | 5 | Torsten Kerber | |
| 24 | 6 | Torsten Kerber | install for single user only: |
| 25 | 6 | Torsten Kerber | >@ python setup.py install --user |
| 26 | 5 | Torsten Kerber | @ |
| 27 | 10 | Torsten Kerber | |
| 28 | 10 | Torsten Kerber | h1. How to quote |
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| 30 | 10 | Torsten Kerber | * ASE |
| 31 | 10 | Torsten Kerber | * QMX |