How to use a force field not defined in lammps via pair_style table?

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1

I want to use a force field given in a reference paper which not defined in lammps. Could I achieve this goal via pair_style table? Also I want to know how can I design the tabulated potential file used in pair_style table command?

Thanks a lot.

2

I want to use a force field given in a reference paper which not defined in lammps. Could I achieve this goal via pair_style table?

Maybe. To give a definite answer, you have to provide more information.

Also I want to know how can I design the tabulated potential file used in pair_style table command?

The documentation describes the format. Tabulation always needs some experimenting, so it is strongly recommended to first practice with a test case, e.g. plain lj/cut as used in the melt example, where an analytic form exists.

Axel

3

And use pair_write to output the table
you’ve input and verify that LAMMPS is
interpolating to it as expected.

Steve