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improper_distance.txt
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.. index:: improper_style distance
improper_style distance command
===============================
Syntax
""""""
improper_style distance
Examples
""""""""
.. parsed-literal::
improper_style distance
improper_coeff 1 80.0 100.0
Description
"""""""""""
The *distance* improper style uses the potential
.. image:: Eqs/improper_dist-1.jpg
:align: center
where d is the 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 :doc:`read_data <read_data>`
command) are ordered I,J,K,L then the I-atom is assumed to be the
central atom.
.. image:: JPG/improper_distance.jpg
:align: center
Note that defining 4 atoms to interact in this way, does not mean that
bonds necessarily exist between I-J, J-K, or K-L, as they would in a
linear dihedral. Normally, the bonds I-J, I-K, I-L would exist for an
improper to be defined between the 4 atoms.
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_2 (energy/distance^2)
* K_4 (energy/distance^4)
----------
Restrictions
""""""""""""
This improper style can only be used if LAMMPS was built with the
USER-MISC package. See the :ref:`Making LAMMPS <start_3>`
section for more info on packages.
Related commands
""""""""""""""""
:doc:`improper_coeff <improper_coeff>`
**Default:** none
.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Section_commands.html#comm
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