improper_style distharm command

Syntax

improper_style distharm

Examples

improper_style distharm
improper_coeff 1 25.0 0.5

Description

The distharm improper style uses the potential

E = K (d - d_{0})^{2}

where $d$ is the oriented distance between the central atom and the plane formed by the other three atoms. If the 4 atoms in an improper quadruplet (listed in the data file read by the read_data command) are ordered I,J,K,L then the L-atom is assumed to be the central atom. Note that this is different from the convention used in the improper_style distance. The distance $d$ is oriented and can take on negative values. This may lead to unwanted behavior if $d_{0}$ is not equal to zero.

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:

$K$ (energy/distance^2)
$d_{0}$ (distance)

Restrictions

This improper style can only be used if LAMMPS was built with the YAFF package. See the Build package doc page for more info.

Default

none