Menu

#512 NGAUSS vaule doesn not change to 6

v_1.0.2
closed
Interface (150)
5
2012-09-12
2010-12-17
Anonymous
No

The NGAUSS does not change from 3 to 6 when creating a GAMESS input file from 3-21 or STO-3G to 6-311++G(2d,P).
The NGAUSS should change to 6 but does not. It works for some basis but not all, 6-311++G(2d,P) is one of them,

Discussion

  • Marcus D. Hanwell

    See http://review.source.kitware.com/#change,795 that should fix the issue. I am targeting this for the 1.0 branch for the next release. You say it works for some, but not all. This is the only one I spotted that appeared to be incorrect.

     
  • Marcus D. Hanwell

    Merged into master and 1.0.