format of data file for pair_style hybrid/overlay

LAMMPS LAMMPS Mailing List Mirror
1

Dear all,

If I am using the pair_style hybrid/overlay command, may I know what is the appropriate format for specifying the pair coefficients in the ‘PairIJCoeffs’ section of the data file? The doc page for read_data states that this section must have N*(N+1)/2 lines where N = # of atom types. However, this would only allow a single pair style to be specified for each pair of atom types. Does this mean that pair coefficients can only be specified in the input script for pair_style hybrid/overlay ?

Best,
Karthik

***DISCLAIMER*** The sender of this email is an alumnus of National University of Singapore (NUS). Kindly note that NUS is not responsible for the contents of this email, and views and opinions expressed are solely the sender's.

2

Dear all,

If I am using the pair_style hybrid/overlay command, may I know what is the appropriate format for specifying the pair coefficients in the ‘PairIJCoeffs’ section of the data file?

there is none.

The doc page for read_data states that this section must have N*(N+1)/2 lines where N = # of atom types. However, this would only allow a single pair style to be specified for each pair of atom types. Does this mean that pair coefficients can only be specified in the input script for pair_style hybrid/overlay ?

correct.

axel