I’m having trouble performing QTAIM atomic charges analysis using Avogadro v1.2 on linux. When I try to perform the analysis using avogadro/libavogadro/src/extenstions/qtaim/test/c4h4.wfn. Several dialogue windows appear as basins are created, but then Avogadro hangs. One processor continues to run at 100% for several hours until killed.
The following is printed to STDOUT before hanging:
basin= 1 value= 0 err= 0
basin= 2 value= 0 err= 0
basin= 3 value= 0 err= 0
basin= 4 value= 0 err= 0
basin= 5 value= 0 err= 0
basin= 6 value= 0 err= 0
basin= 7 value= 0 err= 0
basin= 8 value= 0 err= 0
basin 0 0 0
basin 1 0 0
basin 2 0 0
basin 3 0 0
basin 4 0 0
basin 5 0 0
basin 6 0 0
basin 7 0 0
Is this feature working for others?