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improper_style harmonic command

Syntax:

improper_style harmonic 

Examples:

improper_style harmonic
improper_coeff 1 100.0 0 

Description:

The harmonic improper style uses the potential

where X is the improper angle, X0 is its equilibrium value, and K is a prefactor. Note that the usual 1/2 factor is included in K.

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:

X0 is specified in degrees, but LAMMPS converts it to radians internally; hence the units of K are in energy/radian^2.

Restrictions: none

Related commands:

improper_coeff

Default: none