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baoilleach committed revision 3493 to the Open Babel SVN repository, changing 1 files.
2009-12-17 12:44:49 UTC in Open Babel
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baoilleach committed revision 3492 to the Open Babel SVN repository, changing 5 files.
2009-12-15 16:22:11 UTC in Open Babel
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baoilleach committed revision 3491 to the Open Babel SVN repository, changing 2 files.
2009-12-15 16:16:11 UTC in Open Babel
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baoilleach committed revision 3489 to the Open Babel SVN repository, changing 4 files.
2009-12-14 12:55:19 UTC in Open Babel
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baoilleach committed revision 3488 to the Open Babel SVN repository, changing 2 files.
2009-12-14 11:52:50 UTC in Open Babel
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line.split()[-2] will give you '34'.
2009-12-10 12:03:15 UTC in cclib
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Presumably your files don't contain this data (compare with dvb_gopt.out in the distribution). You need to use #P if you want scf convergence information to be included.
2009-12-10 11:10:52 UTC in cclib
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This works for me with the cclib development code, so it must have been fixed in the meanwhile. We will try to get out a cclib version before Christmas (!) or early in the new year.
Marking as pending
- Noel.
2009-12-01 10:14:47 UTC in cclib
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baoilleach committed revision 304 to the The Blue Obelisk SVN repository, changing 6 files.
2009-12-01 09:54:44 UTC in The Blue Obelisk
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baoilleach committed revision 303 to the The Blue Obelisk SVN repository, changing 1 files.
2009-12-01 09:23:54 UTC in The Blue Obelisk
