Greetings,
I was testing an atom style and I was wondering how I could alter the data file so the line of properties for a single atom can be really long. It seems that when I define the atom style propeties list past a certain line length properties aren’t picked up and the incorrect atom format error is triggered.
Greetings,
I was testing an atom style and I was wondering how I could alter the data
file so the line of properties for a single atom can be really long. It
seems that when I define the atom style propeties list past a certain line
length properties aren't picked up and the incorrect atom format error is
triggered.
there is a define called MAXLINE in read_data.cpp that sets the
maximum number of characters per line.
you'd have to change it and recompile to make it handle longer lines.
please note, that there is rarely a good reason to add properties to
atom styles (and thus implement new atom styles), since you can also
use fix property/atom for that purpose without changes to sources.
axel.
Thanks, that worked. I looked into that but since every atom has its own set of interpolation variables in this style and there’s also a pair style and fix that needs to interface with it I decided to just make it.