Re: CCL:beyond Verlet's algorithm



 As a side note...   I feel I've given it before ;-)
 For small systems like bimolecular collisions the variable time-step
 method with Gauss-Radau spaced substeps in:
 E. Everhart, in Dynamics of Comets: Their Origin and Evaluation, ed. A.
 Carusi and G. B. Valsecchi (Reidel, Dordrecht 1985) 185.
 was evaluated in:
 K. Bolton, S. Nordholm, J. Comp. Phys. 113 (1994) 320.
 and shows nice energy conservation and also keeps good track of rotational
 energy at a comparably light numerical load.
 I've always used it in my MD simulations of molecular collisions.... but
 then again I might have missed the original question here.. ;-)
 ... I don't think it will go to very large timesteps but try to stay
 within the frequencies.
 for all its worth :-)
 /Harald
 Harald Svedung (Ph.Lic.)      phone:  +46-31-7722816
 Department of Chemistry       fax:  +46-31-167194
 Physical Chemistry            home phone:+46-31-240897, +46-709223206
 Goeteborg University          home e-mail: harald.svedung #*at*# svedung.pp.se
 SE-412 96 Goeteborg, Sweden.  www.che.chalmers.se/~svedung/welcome.html