As far as I understand the latest manual, there is no way of computing molecular dynamics of excited states in FireFly8.1.0.
Are you planning to implement it in next versions? Namely, I am greatly interested in semiclassical molecular dynamics that will use Tully-like-algorithm for taking into the account surface hopping probabilities (including hopping between states of equal multiplicity like S1-S0 and different multiplicities like T1-S0)?
Are you planning to develop EFP method to enable one to calculate solvent cages for excited states (not only for water)?
With great thanks for FF-programme,
[ This message was edited on Thu Jun 25 '15 at 2:20am by the author ]