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root @ 20

# Date Auteur Commentaire
20 28/06/2012 16:18 Torsten Kerber

memory in GAUSSIAN
19 08/06/2012 12:09 Torsten Kerber

updated gaussian interface, by tk
18 26/01/2012 10:43 Torsten Kerber

BUGFIX: EMBED
17 25/01/2012 13:45 Torsten Kerber

UPDATE (box): 2L+60pm
16 29/11/2011 12:25 Torsten Kerber

2011, 11, 29: update GUI, GAUSSIAN interface, userdefinied link atoms, code cleaning
15 23/08/2011 18:52 Torsten Kerber

embed.py supports definition of cluster by list of numbers
14 18/07/2011 14:53 Torsten Kerber

GUI supports export of "qmx.in" job description file
13 12/07/2011 18:12 Torsten Kerber

ACKNOWLEDGMENTS
12 12/07/2011 15:32 Torsten Kerber

BUGFIX mopac, tkerber
11 11/07/2011 21:31 Torsten Kerber

BUGFIX: re-shape of array in mopac interface, 2011, July, 11, tkerber
10 11/07/2011 21:07 Torsten Kerber

new: MOPAC interface\nmajor update: prepareQMX\nminor updates: turbomole, vasp, embed\n\n2011, July, 11\n\nby tkerber
9 11/05/2011 12:13 Torsten Kerber

Enhanced Graphical User Interface
8 18/04/2011 14:17 Torsten Kerber

support parallel TM in python 2.4
7 18/04/2011 14:13 Torsten Kerber

support parallel TM
6 18/04/2011 12:54 Torsten Kerber

two symbolic links are replaced by files
5 18/04/2011 12:52 Torsten Kerber

BUGFIXES april 2011
4 05/04/2011 09:54 Torsten Kerber

LAMMPS.py (no HTML code)
3 28/03/2011 12:53 Torsten Kerber

BUGFIX in QMX, update TURBOMOLE, include LAMMPS-VERSION
2 17/03/2011 16:15 Torsten Kerber

first stable QMX version, 2011-03-17 by tkerber
1 17/03/2011 16:07 Torsten Kerber

ASE 3.4.1.1765