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improper_style fourier command

Syntax:

improper_style fourier 

Examples:

improper_style fourier
improper_coeff 1 100.0 180.0 

Description:

The fourier improper style uses the following potential:

where K is the force constant and omega is the angle between the IL axis and the IJK plane:

If all parameter (see bellow) is not zero, the all the three possible angles will taken in account.

The following coefficients must be defined for each improper type via the improper_coeff command as in the example above, or in the data file or restart files read by the read_data or read_restart commands:


Restrictions:

This angle style can only be used if LAMMPS was built with the USER_MISC package. See the Making LAMMPS section for more info on packages.

Related commands:

improper_coeff

Default: none


(Mayo) Mayo, Olfason, Goddard III, J Phys Chem, 94, 8897-8909 (1990),