my problem is that the dump file itself which seems not to be correctly formatted. I did it exactly after lines what I found in Axels’ homepage, and even tried it for several other formats. I use xyz-formatting… can you pls help me with this problem?
%d (timestep number)
ITEM: NUMBER OF ATOMS
%d (number of atoms)
ITEM: BOX BOUNDS pp pp pp
%f %f (xlo, xhi)
%f %f (ylo, yhi)
%f %f (zlo, zhi)
ITEM: ATOMS id type xs ys zs
%d %d %f %f %f (atomid, type, x-, y-, z, coordinates)
P.S. I’m using a orthogonal structure.
many thanks in advance,
my problem is that the dump file itself which seems not to be correctly formatted.
what is it that you are saying? that lammps doesn't correctly write
its own dump files? that is - by definition - impossible. so you'll
have to ask in reference to something that you are not explaining
here. how should anybody know what that is? mind reading??
I did it exactly after lines what I found in Axels' homepage, and
what does it mean? "i did it"? you did *what*?
the authoritative documentation on LAMMPS dump file format is in the
even tried it for several other formats.
you tried *what* for *what* other formats and to achieve *what*?
I use xyz-formatting.. can you pls
what is "xyz-formatting"? and what does it have to do with LAMMPS dump
file? are you talking about the "dump xyz" command? then you are
talking about a completely different file format.
help me with this problem?
again, *what* is the problem. the only problem that i see in your
e-mail is that you have to learn how to properly post a question to a
mailing list. this starts by using a proper description as a
"Subject:" line and also requires a sufficiently complete and concise
description of the exact problem that you are trying to solve and its
context. the better you pose the question, the better your chances to
get help. the more cryptic and disconnected, the worse. at best people
will ignore you, at worst they'll be annoyed and thus you'd achieve
the exact opposite of what you're after.