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Name Size Revision Age Author Comment
  ase 20 almost 7 years Torsten Kerber memory in GAUSSIAN
  prepareQMX 16 over 7 years Torsten Kerber 2011, 11, 29: update GUI, GAUSSIAN interface, u...
  tools 1 about 8 years Torsten Kerber ASE 3.4.1.1765
PKG-INFO 353 Bytes 1 about 8 years Torsten Kerber ASE 3.4.1.1765
README.txt 73 Bytes 9 about 8 years Torsten Kerber Enhanced Graphical User Interface
setup.py 1.8 kB 1 about 8 years Torsten Kerber ASE 3.4.1.1765

Latest revisions

# Date Author Comment
20 06/28/2012 04:18 pm Torsten Kerber

memory in GAUSSIAN

19 06/08/2012 12:09 pm Torsten Kerber

updated gaussian interface, by tk

18 01/26/2012 10:43 am Torsten Kerber

BUGFIX: EMBED

17 01/25/2012 01:45 pm Torsten Kerber

UPDATE (box): 2L+60pm

16 11/29/2011 12:25 pm Torsten Kerber

2011, 11, 29: update GUI, GAUSSIAN interface, userdefinied link atoms, code cleaning

15 08/23/2011 06:52 pm Torsten Kerber

embed.py supports definition of cluster by list of numbers

14 07/18/2011 02:53 pm Torsten Kerber

GUI supports export of "qmx.in" job description file

13 07/12/2011 06:12 pm Torsten Kerber

ACKNOWLEDGMENTS

12 07/12/2011 03:32 pm Torsten Kerber

BUGFIX mopac, tkerber

11 07/11/2011 09:31 pm Torsten Kerber

BUGFIX: re-shape of array in mopac interface, 2011, July, 11, tkerber

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