Incorrect args for pair coefficients for Airebo potential

LAMMPS LAMMPS Mailing List Mirror
1

Here i am attaching my full input and data file for your reference.

data.vmd50 (4.49 KB)

in.tensile_graphene (1.5 KB)

2

Here i am attaching my full input and data file for your reference.

there you go. it is actually not the input file, but the data file
that is problematic.

haven't you noticed that the box size that LAMMPS reports is different
from the one in the data file?
since LAMMPS cannot read/parse it, it creates a default system with no
atoms (and no atom types) and it notices for the first time when
initializing the airebo pair coefficients.

please note, that your data file has format errors as well.

axel.

3

Ya i got the wrong box size only.
I understood the error. Thank you very much Axel.