NQCDynamics.jl
NQCDynamics.jl copied to clipboard
Analysis.Diatomic get_desorption_frame logic errors for very short trajectories
diatomic.jl:64 currently checks which frame is the last before the centre of mass velocity z component points away from the surface. If none is found, diatomic.jl:65 will fail since an Int is compared to a nothing
.