correct pair_style for polyymer(Polypropylene)

LAMMPS LAMMPS Mailing List Mirror
1

Dear Lammps users
I have been trying to load structure of Polypropylene. But it is showing error (" ERROR: Expected floating point parameter in input script or data file (force.cpp

:687 "). I search on internet and lammps manual and I think this because of wrong pair_style. So please suggest correct pair_style for polypropylene.

Thanks

2

Hello, Manish:

I’m afraid your question is impossible to answer, as there is no “correct pair_style” for any given species. The pair style you use depends on the force field you are using, and how it is parameterized. If you try to just randomly pick values, your answers will be meaningless.

With respect to your error message, it implies that you are trying to give LAMMPS an integer or other data type where it expects a floating-point value. This may or may not be related to using the wrong pair style.

–AEI

3

With respect to your error message, it implies that you are trying to give LAMMPS an integer or other data type where it expects a >floating-point value. This may or may not be related to using the wrong pair style.

Actually, using an integer for a FP value is OK. The error will be
b/c you have a string like "foo", that LAMMPS does not recognize
as a number. I.e. a syntax error in your input script or data file.

Steve