Is there currently any way to visualize force vectors in IQmol from a FORCE output? I tried printing a checkpoint file and also tried just reading the output into IQmol, but can’t seem to find an option for this. If this isn’t possible, it would make for a nice feature. My use-case seems like one that might be relatively common as well – visualizing forces exerted on a molecule from adiabatic excitation.
The gradient is in the FChk file when you use JOBTYPE=FORCE but I guess IQmol isn’t set up to visualize that info. A hack would be to reformat the gradient as the first normal mode and trick IQmol into thinking it’s a frequency output. You might (=probably would) have to copy it 3N-6 times, for each normal mode.
This is a good suggestion and it is somewhat of an oversight that it is not already implemented. I will add it as a feature request.