Hi,
I am studying effect of hydrogen in nickel system with a crack. I am inputing the data from a file by read_data command. Then i want to modify the dump command with centro-symmetry command so that only atoms which are near the crack, to see the motion of dislocation. My problem is as i am reading the data from a file there is no region created. Hence i tried with region all, it didnt work. Log file shows illegal dump command.How should i create a region for dump_modify command. If i dont use this modify command, everything works fine and i get the all the atoms (which i dont want).
read_data [nickel.in](http://nickel.in)
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dump 1 all custom 2000 dump.meam.* id type x y z c_csym
dump_modify region all thresh c_csym>=5
Hi,
I am studying effect of hydrogen in nickel system with a crack. I am
inputing the data from a file by read_data command. Then i want to modify
the dump command with centro-symmetry command so that only atoms which are
near the crack, to see the motion of dislocation. My problem is as i am
reading the data from a file there is no region created. Hence i tried with
regions are created with the region command
region all, it didnt work. Log file shows illegal dump command.How should i
create a region for dump_modify command. If i dont use this modify command,
everything works fine and i get the all the atoms (which i dont want).
the first argument to the dump_modify command has to
be the dump id. yours doesn't have that.
i guess you need to read the documentation more carefully.
axel
Make sure you reference your dump in the dump_modify command. Also, you’ll probably get closer to what you want by using just the thresh keyword in your dump modify command, and not the region keyword. Something more like this:
dump_modify 1 thresh c_csym>=5
If that still doesn’t get you want you want, please re-read the relevant documentation:
http://lammps.sandia.gov/doc/dump_modify.html
http://lammps.sandia.gov/doc/dump.html
http://lammps.sandia.gov/doc/region.html
Paul