Hi, Dear Lammps user,
I am using the group command to group certain atoms and find that the command gives wrong number of atoms in the group.
I attached part of the result from the log.lammps file. The group bulk3_1 should have 154 atoms and group bulk3_2 should have 1540 atoms but they shows difference number in the log file and the dump xyz files.
The group command adds atoms to an existing group.
So this command:
group bulk3_1 id 9251:12311:20
1694 atoms in group bulk3_1
Did the group already exist due to a previous command?
If not, you should be able to write a simpler script
with just that command. Does it give 1694 atoms instead of
154 ??
Steve
Hi, Steve,
The bulk3_1 has been named in a previous in.file, I changed the atoms’ labels in this new in.file and read the restart file from the previous one.
I think this might be the reason. I will try to delete all those groups named in the previous in.file and rename them in the new in.file.
Thank you for your help.
Yi Zeng