The Introduction describes single vs dual topology in much needed
detail. However, the further subdivision of single topology into
parameter vs energy scaling is brought up only later (p9). I think
this is so fundamental that it should be discussed together with the
single/dual topology distinction. These subtle(?) differences see
some 'revival', see e.g. 10.1021/acs.jctc.7b01175. I
personally tend to classify methods into
dual topology,
single topology (parameter scaling) and
dual-topology-single-coordinate ("single topology with energy scaling")
The Introduction describes single vs dual topology in much needed detail. However, the further subdivision of single topology into parameter vs energy scaling is brought up only later (p9). I think this is so fundamental that it should be discussed together with the single/dual topology distinction. These subtle(?) differences see some 'revival', see e.g. 10.1021/acs.jctc.7b01175. I personally tend to classify methods into
dual topology, single topology (parameter scaling) and dual-topology-single-coordinate ("single topology with energy scaling")