GC - How to handle molecules with multiple segments that contain dipole or quadrupole moments?

[Gernot Bauer]

Currently, parameters are constructed using a simple sum of dipole-(DM) and quadrupole moments(QM).
Sauer et al. only inspected molecules with a single fragment with a DM. It is thus not clear how to treat molecules having multiple segments with DM/QM. We should add a warning when molecules are constructed that contain multiple DM/QM to make that clear to users.

[Philipp Rehner]

This is dealt with in the updated Parameter trait.