gausssum-help

[Anton R. <vo...@gm...>]

Hello, team!
I have a minor trouble with COOP orbitals construction. Firstly, I though
that trouble is in my calculations, but then i tried to use your example
(at  http://gausssum.sourceforge.net/Example/index.html ) and got the same
error.
I have Groups.txt file which is perfectly found by GaussSum, it can nicely
visualise PDOS but cant COOP. GaussSum write me message (screenshot
provided as well):
*File "/.../pythin3.5/site-packages/numpy/core/fromnumeric.py", line 124,
in take return take(indices, axis, out, mode) ValueError: axis(=1) out of
bonds*
 [image: Встроенное изображение 1]
I use latest macOS Sierra, Python 3.5.2, and GaussSum 3.0.1.
Thank you in advance!

Best regards,
Anton Ruzanov