[lammps-users] LAMMPS pair_style table command

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1

Hi,

I don't understand why I am getting an "Invalid pair table cutoff" error for the last line in this script segment.

pair_style hybrid eam/fs lj/cut 3.5 airebo 2.5 0 0 table linear 1000
pair_coeff * * eam/fs Fe_mm.eam.fs Fe NULL NULL
pair_coeff 1 3 lj/cut 0.00759200 3.5 9.7625
pair_coeff * * airebo CH.airebo NULL C H
pair_coeff 1 2 table Johnson.table ENTRY1 2.53

Pair style hybrid requires "table" to be inserted, but otherwise this fits the format from the documentation
http://lammps.sandia.gov/doc/pair_table.html (line 4 under examples). I have also attached my table file, just in case.

Thank you,
Nicholas J. Lee

Johnson.table (31.2 KB)

2

Can you use your table file by itself without error?
I.e. not in a hybrid simulation?

Steve