Hi, i create a dump file with the x,y,z positions of each atom with the command: dump 2 all custom 1000 co2_Potoff.txt x y z
The output that i get has a header file for each timestep.
ITEM: TIMESTEP
11000
ITEM: NUMBER OF ATOMS
3063
ITEM: BOX BOUNDS
28.204 319.571
28.204 319.571
28.204 319.571
ITEM: ATOMS x y z
For postprocessing reasons i don't want to have the repeated header in my file several times,and i want to have only the positions for each timestep. >From the manual i think that this can be done with dump_modify and label option.But i don't how to implement it.
Dimitris
For postprocessing reasons i don't want to have the repeated header in my file several times,
There's no way to remove it with a LAMMPS command. Since you're
post-processing,
why not remove (or skip) it yourself?
Steve
Imagine that this header i have it 1000 times in my file.so i guess i have to skip it ...because removing whould be time more difficult and time consuming.
The header is there b/c the values in it can change is some LAMMPS models.
It would be harder to have tools that had to work both when it was and wasn't
there.
Steve
The header is there b/c the values in it can change is some LAMMPS models.
It would be harder to have tools that had to work both when it was and wasn't
there.
also the size of the header is negligible for almost any system
that one wants to run lammps on. if size is a concern, then parsing
time is, too, and then a binary format would be _much_ better.
cheers,
axel.
Actually your description of what you want sounds to me as if you could get your desired output by dumping in xyz style instead of custom style in your dump command.
i.e.
instead of
dump 2 all custom 1000 co2_Potoff.txt x y z
you would use
dump 2 all xyz 1000 co2_Potoff.txt
Michael
The thing is that i need the id from the dump custom ...so i haven't found a way to have only the atom id x,y,z without the header file in each timestep..