Re: [votca] Script table_switch_border.pl

2017-04-21 2:44 GMT-06:00 Christoph Scherer : > 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 =

Re: [votca] Script table_switch_border.pl

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

Re: [votca] Script table_switch_border.pl

2017-04-12 8:00 GMT-06:00 Javier Ramos : > 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

[votca] Script table_switch_border.pl

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? Thank you Javi -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this