I just checked again, and as far as I remember it is not a leftover from the thermodynamic force integration, but I implemented it in terms of usind it with csg_fmatch. It applies a smoothing function of the form y = y*cos( pi*(x-x_switch)/(2*(x_end-x_switch)) ) to all table values between x_switch (3rd argument when calling) and the table end and can be called with csg_call table switch_border. I would recommend to use it at the end of the iterative process when you have your "final" potential and want a smooth decay to zero.
Am Mittwoch, 12. April 2017 18:36:24 UTC+2 schrieb Christoph Junghans: > > 2017-04-12 8:00 GMT-06:00 Javier Ramos <[email protected] <javascript:>>: > > Dear all, > > > > Just a short question, is it possible to call (or set-up) the script > > table_switch_border.pl in the settings.xml file when I run csg_inverse > > script? > No, it is a leftover from the thermodynamic force iteration, which we > found could be useful at some point. > You will need to write a post update script yourself. > See postupd_smooth.sh for an example to start from. > > Christoph > > > > Thank you > > Javi > > > > -- > > 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] <javascript:>. > > To post to this group, send email to [email protected] > <javascript:>. > > Visit this group at https://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 https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
