All pair coeffs are not set

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1

Hi LAMMPS USERS
I am using LIGGGHTS to simulate particle dynamics.For tutorial of “poly” in ASPHERE directory,it comes with the error “All pair coeffs are not set” when it performs the delete_atom command.
The input file is as follows:

delete overlaps

must set *-4 cutoffs to non-zero values

pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0
pair_coeff 2 2 1.0 2.0
pair_coeff 3 3 1.0 1.5
pair_coeff 1 4 0.0 1.0 0.5
pair_coeff 2 4 0.0 1.0 1.0
pair_coeff 3 4 0.0 1.0 0.75

delete_atoms overlap 1.0 small big

When I run the example poly in LAMMPS instead of LIGGGHTS, it is all right.
So there’s something wrong with my LIGGGHTS.How can I fix it ?

Hu Chenshu
PHD student
Zhejiang University

2

There are no pair coeffs set for the 4-4 interactions.
Hence the error. The cross terms will be mixed if
you don’t specify them.

Steve