Can anyone tell me how to get per-atom vectors read in and displayed from a ‘xyz+vec’ format like this:
2
Comment line
H 1.0 0.0 0.0 0.0 1.0 0.0
H -1.0 0.0 0.0 0.0 -1.0 0.0
where the last three numbers on each atom record are the Cartesian components of the desired vector? This should be possible, as Avogadro can already draw force vectors and dipole vectors on top of molecular structures. If this can’t be added to the executable, how can it be done using the API?