2016-10-04 3:54 GMT-06:00 Vitalie Botan <[email protected]>: > Hi Christoph, > > thanks for the reply, I am definitely going to try it the next days and will > let you know if it helps or makes any sense at all to implement. BTW, if you > already mentioned C-IBI (also announced in 1.4 release), do I need any > special commands/tags in the settings.xml for this method? Do you plan to > release also a new tutorial/example for it? See Fig. 8 of http://dx.doi.org/10.1063/1.4947253 for an xml sniplet. We are currently working on a tutorial and a manual update for inclusion in VOTCA 1.4
Christoph > > Regards, > --Vitaliy > >> >> It is not hard, I guess - you basically have to multiple the g(r)with >> h(x) from Eq. 7 before line 69 in >> >> <https://github.com/votca/csg/blob/master/share/scripts/inverse/postupd_cibi_correction.sh#L69> >> I would implement that in a similar fashion as >> >> <https://github.com/votca/csg/blob/master/share/scripts/inverse/table_switch_border.pl> >> which put a cos function over a table. >> >> Christoph >> >> >> -- >> 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. -- 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.
