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Update pair_body_nparticle docs

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Richard Berger
2020-02-14 09:27:55 +01:00
parent e339e1735d
commit 147d430a6d
1 changed files with 17 additions and 13 deletions
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doc/src/pair_body_nparticle.rst
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@ -1,13 +1,13 @@
.. index:: pair\_style body/nparticle
.. index:: pair_style body/nparticle
pair\_style body/nparticle command
==================================
pair_style body/nparticle command
=================================
Syntax
""""""
.. parsed-literal::
.. code-block:: LAMMPS
pair_style body/nparticle cutoff
@ -17,10 +17,10 @@ Examples
""""""""
.. parsed-literal::
.. code-block:: LAMMPS
pair_style body/nparticle 3.0
pair_coeff \* \* 1.0 1.0
pair_coeff * * 1.0 1.0
pair_coeff 1 1 1.0 1.5 2.5
Description
@ -67,11 +67,15 @@ The interaction between two sub-particles, or a sub-particle and point
particle, or between two point particles is computed as a Lennard-Jones
interaction, using the standard formula
.. image:: Eqs/pair_lj.jpg
:align: center
.. math::
where Rc is the cutoff. As explained above, an interaction involving
one or two body sub-particles may be computed even for r > Rc.
E & = 4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} -
\left(\frac{\sigma}{r}\right)^6 \right]
\qquad r < R_c \\
where :math:`R_c` is the cutoff. As explained above, an interaction involving
one or two body sub-particles may be computed even for :math:`r > R_c`.
For style *body*\ , the following coefficients must be defined for each
pair of atoms types via the :doc:`pair_coeff <pair_coeff>` command as in
@ -79,8 +83,8 @@ the examples above, or in the data file or restart files read by the
:doc:`read_data <read_data>` or :doc:`read_restart <read_restart>`
commands:
* epsilon (energy units)
* sigma (distance units)
* :math:`\epsilon` (energy units)
* :math:`\sigma` (distance units)
* cutoff (distance units)
The last coefficient is optional. If not specified, the global cutoff
@ -94,7 +98,7 @@ is used.
For atom type pairs I,J and I != J, the epsilon and sigma coefficients
and cutoff distance for all of this pair style can be mixed. The
default mix value is *geometric*\ . See the "pair\_modify" command for
default mix value is *geometric*\ . See the :doc:`pair_modify <pair_modify>` command for
details.
This pair style does not support the :doc:`pair_modify <pair_modify>`