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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 Syntax
"""""" """"""
.. parsed-literal:: .. code-block:: LAMMPS
pair_style body/nparticle cutoff pair_style body/nparticle cutoff
@ -17,10 +17,10 @@ Examples
"""""""" """"""""
.. parsed-literal:: .. code-block:: LAMMPS
pair_style body/nparticle 3.0 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 pair_coeff 1 1 1.0 1.5 2.5
Description 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 particle, or between two point particles is computed as a Lennard-Jones
interaction, using the standard formula interaction, using the standard formula
.. image:: Eqs/pair_lj.jpg .. math::
:align: center
where Rc is the cutoff. As explained above, an interaction involving E & = 4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} -
one or two body sub-particles may be computed even for r > Rc. \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 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 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>` :doc:`read_data <read_data>` or :doc:`read_restart <read_restart>`
commands: commands:
* epsilon (energy units) * :math:`\epsilon` (energy units)
* sigma (distance units) * :math:`\sigma` (distance units)
* cutoff (distance units) * cutoff (distance units)
The last coefficient is optional. If not specified, the global cutoff 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 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 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. details.
This pair style does not support the :doc:`pair_modify <pair_modify>` This pair style does not support the :doc:`pair_modify <pair_modify>`