2013/11/5 郭志成 <[email protected]>: > Hi: > > I convert the csg potential files to the tab format (as read by espresso) > using table_to_tab.pl (csg_call convert_potential tab). > > However, it needed three parameters (table_to_tab.sh in_pot in_deriv_pot > outfile). > > The problem is that I can not understand the meaning of in_deriv_pot. How > can I obtain the in_deriv_pot? csg_call convert_potential tab is just the low level script, which need an extra file with the derivatives in it.
csg_call convert_potential espresso should do what you want to do. > > I will be very appreciable for any suggestion. > > -- > 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/groups/opt_out. -- 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/groups/opt_out.
