This directory contains the data and GNUplot files used to construct Figures 1-8 in:

A new diabatization scheme for direct quantum dynamics: Procrustes diabatization, by
Gareth W. Richings and Scott Habershon, J. Chem. Phys.

DOI: 10.1063/5.0003254

Data files are stored as ASCII text. Two directories (labelled but or lif) correspond to the
calculations performed for either butatriene or lithium fluoride.

The directories labelled 'proc' refer to the Procrustes diabatization, 'proj' refer to the Projection
diabatization scheme of Robertson et al, and 'prop' refer to the propagation diabatization of
Richings and Worth.