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Update docs: angle_style

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Richard Berger
2019-11-15 11:22:25 -05:00
parent fb64068fbc
commit cdd56cd08f
2 changed files with 14 additions and 131 deletions
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doc/src/angle_style.rst
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@ -1,13 +1,13 @@
.. index:: angle\_style
.. index:: angle_style
angle\_style command
====================
angle_style command
===================
Syntax
""""""
.. parsed-literal::
.. code-block:: LAMMPS
angle_style style
@ -17,7 +17,7 @@ Examples
""""""""
.. parsed-literal::
.. code-block:: LAMMPS
angle_style harmonic
angle_style charmm
@ -29,19 +29,19 @@ Description
Set the formula(s) LAMMPS uses to compute angle interactions between
triplets of atoms, which remain in force for the duration of the
simulation. The list of angle triplets is read in by a
:doc:`read\_data <read_data>` or :doc:`read\_restart <read_restart>` command
:doc:`read_data <read_data>` or :doc:`read_restart <read_restart>` command
from a data or restart file.
Hybrid models where angles are computed using different angle
potentials can be setup using the *hybrid* angle style.
The coefficients associated with a angle style can be specified in a
data or restart file or via the :doc:`angle\_coeff <angle_coeff>` command.
data or restart file or via the :doc:`angle_coeff <angle_coeff>` command.
All angle potentials store their coefficient data in binary restart
files which means angle\_style and :doc:`angle\_coeff <angle_coeff>`
files which means angle_style and :doc:`angle_coeff <angle_coeff>`
commands do not need to be re-specified in an input script that
restarts a simulation. See the :doc:`read\_restart <read_restart>`
restarts a simulation. See the :doc:`read_restart <read_restart>`
command for details on how to do this. The one exception is that
angle\_style *hybrid* only stores the list of sub-styles in the restart
file; angle coefficients need to be re-specified.
@ -49,7 +49,7 @@ file; angle coefficients need to be re-specified.
.. note::
When both an angle and pair style is defined, the
:doc:`special\_bonds <special_bonds>` command often needs to be used to
:doc:`special_bonds <special_bonds>` command often needs to be used to
turn off (or weight) the pairwise interaction that would otherwise
exist between 3 bonded atoms.
@ -62,11 +62,11 @@ between the 3 atoms in the angle.
Here is an alphabetic list of angle styles defined in LAMMPS. Click on
the style to display the formula it computes and coefficients
specified by the associated :doc:`angle\_coeff <angle_coeff>` command.
specified by the associated :doc:`angle_coeff <angle_coeff>` command.
Click on the style to display the formula it computes, any additional
arguments specified in the angle\_style command, and coefficients
specified by the associated :doc:`angle\_coeff <angle_coeff>` command.
specified by the associated :doc:`angle_coeff <angle_coeff>` command.
There are also additional accelerated pair styles included in the
LAMMPS distribution for faster performance on CPUs, GPUs, and KNLs.
@ -115,17 +115,12 @@ individual bond potentials tell if it is part of a package.
Related commands
""""""""""""""""
:doc:`angle\_coeff <angle_coeff>`
:doc:`angle_coeff <angle_coeff>`
Default
"""""""
.. parsed-literal::
.. code-block:: LAMMPS
angle_style none
.. _lws: http://lammps.sandia.gov
.. _ld: Manual.html
.. _lc: Commands_all.html