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write_coeff command

Syntax

write_coeff file

file = name of data file to write out

Examples

write_coeff polymer.coeff

Description

Write a text format file with the currently defined force field coefficients in a way, that it can be read by LAMMPS with the include command. In combination with the nocoeff option of write_data this can be used to move the Coeffs sections from a data file into a separate file.

Note

The write_coeff command is not yet fully implemented as some pair styles do not output their coefficient information. This means you will need to add/copy this information manually.

Restrictions

none