I want to simulate a sheet of graphene using comb3 (this is a test for my later simulations). I am using the potential files in the lammps folder.
I use the following commands. The simulation stops with an error which looks strange! This is interesting that when I change the atom type and mass to that of Cu, it runs smoothly.
I appreciate your comments on why there is error with carbon atoms.
I want to simulate a sheet of graphene using comb3 (this is a test for my
later simulations). I am using the potential files in the lammps folder.
I use the following commands. The simulation stops with an error which looks
strange! This is interesting that when I change the atom type and mass to
that of Cu, it runs smoothly.
I appreciate your comments on why there is error with carbon atoms.
what version of LAMMPS are you using?
there is no error with the current (16 March 2016) version.
axel.
I want to simulate a sheet of graphene using comb3 (this is a test for my
later simulations). I am using the potential files in the lammps folder.
I use the following commands. The simulation stops with an error which looks
strange! This is interesting that when I change the atom type and mass to
that of Cu, it runs smoothly.
I appreciate your comments on why there is error with carbon atoms.what version of LAMMPS are you using?
there is no error with the current (16 March 2016) version.
that is the 14 March 2016 version, of course.
sorry,
axel.
Is your lib.comb3 in the same working directory?
Ray
I was wrong I thought my homebrew lammps version (2015.02.10) works with comb3 (2014-02-01).
I have to install a newer version on my iMac, although my previous efforts were unsuccessful…
Thanks.