2015-10-13 13:25 GMT-06:00 Chang Woon Jang <[email protected]>: > Dear Votca users, > > I have a questions about number of iterations for ibi. In the most > tutorials, the iterations_max setting is in the range of 300~500. Is this > enough number of iterations to get proper potentials? It depends on the system you study.
> > Or, > > Is this the user responsibility for matching potentials? Yes, but you can enable an convergence check to stop automatically. > > Thank you very much. > > -- > Best regards, > Changwoon Jang, > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To post to this group, send email to [email protected]. > Visit this group at http://groups.google.com/group/votca. > For more options, visit https://groups.google.com/d/optout. -- Christoph Junghans Web: http://www.compphys.de -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
