diff --git a/doc/src/Eqs/angle_mm3.jpg b/doc/src/Eqs/angle_mm3.jpg deleted file mode 100644 index 5b9f3e34f0..0000000000 Binary files a/doc/src/Eqs/angle_mm3.jpg and /dev/null differ diff --git a/doc/src/Eqs/angle_mm3.tex b/doc/src/Eqs/angle_mm3.tex deleted file mode 100644 index e2d96f2d69..0000000000 --- a/doc/src/Eqs/angle_mm3.tex +++ /dev/null @@ -1,9 +0,0 @@ -\documentclass[12pt]{article} - -\begin{document} -\thispagestyle{empty} -$$ - E = K (\theta - \theta_0)^2 \left[ 1 - 0.014(\theta - \theta_0) + 5.6(10)^{-5} (\theta - \theta_0)^2 - 7.0(10)^{-7} (\theta - \theta_0)^3 + 9(10)^{-10} (\theta - \theta_0)^4 \right] -$$ - -\end{document} diff --git a/doc/src/angle_mm3.rst b/doc/src/angle_mm3.rst index 50786363b2..7cf7f9e720 100644 --- a/doc/src/angle_mm3.rst +++ b/doc/src/angle_mm3.rst @@ -1,13 +1,13 @@ -.. index:: angle\_style mm3 +.. index:: angle_style mm3 -angle\_style mm3 command -======================== +angle_style mm3 command +======================= Syntax """""" -.. parsed-literal:: +.. code-block:: LAMMPS angle_style mm3 @@ -15,7 +15,7 @@ Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS angle_style mm3 angle_coeff 1 100.0 107.0 @@ -26,23 +26,25 @@ Description The *mm3* angle style uses the potential that is anharmonic in the angle as defined in :ref:`(Allinger) ` -.. image:: Eqs/angle_mm3.jpg - :align: center +.. math:: -where theta0 is the equilibrium value of the angle, and K is a -prefactor. The anharmonic prefactors have units deg\^(-n), for example --0.014 deg\^(-1), 5.6(10)\^(-5) deg\^(-2), ... + E = K (\theta - \theta_0)^2 \left[ 1 - 0.014(\theta - \theta_0) + 5.6(10)^{-5} (\theta - \theta_0)^2 - 7.0(10)^{-7} (\theta - \theta_0)^3 + 9(10)^{-10} (\theta - \theta_0)^4 \right] + + +where :math:`\theta_0` is the equilibrium value of the angle, and :math:`K` is a +prefactor. The anharmonic prefactors have units :math:`\deg^{-n}`, for example +:math:`-0.014 \deg^{-1}`, :math:`5.6 \cdot 10^{-5} \deg^{-2}`, ... The following coefficients must be defined for each angle type via the :doc:`angle\_coeff ` command as in the example above, or in the data file or restart files read by the :doc:`read\_data ` or :doc:`read\_restart ` commands: -* K (energy/radian\^2) -* theta0 (degrees) +* :math:`K` (energy/radian\^2) +* :math:`\theta_0` (degrees) -Theta0 is specified in degrees, but LAMMPS converts it to radians -internally; hence the units of K are in energy/radian\^2. +:math:`\theta_0` is specified in degrees, but LAMMPS converts it to radians +internally; hence the units of :math:`K` are in energy/radian\^2. Restrictions """""""""""" @@ -58,12 +60,3 @@ Related commands :doc:`angle\_coeff ` **Default:** none - - ----------- - - - -.. _lws: http://lammps.sandia.gov -.. _ld: Manual.html -.. _lc: Commands_all.html diff --git a/doc/txt/angle_mm3.txt b/doc/txt/angle_mm3.txt deleted file mode 100644 index 9ae032c4ff..0000000000 --- a/doc/txt/angle_mm3.txt +++ /dev/null @@ -1,55 +0,0 @@ -"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c - -:link(lws,http://lammps.sandia.gov) -:link(ld,Manual.html) -:link(lc,Commands_all.html) - -:line - -angle_style mm3 command :h3 - -[Syntax:] - -angle_style mm3 :pre - -[Examples:] - -angle_style mm3 -angle_coeff 1 100.0 107.0 :pre - -[Description:] - -The {mm3} angle style uses the potential that is anharmonic in the angle -as defined in "(Allinger)"_#mm3-allinger1989 - -:c,image(Eqs/angle_mm3.jpg) - -where theta0 is the equilibrium value of the angle, and K is a -prefactor. The anharmonic prefactors have units deg^(-n), for example --0.014 deg^(-1), 5.6(10)^(-5) deg^(-2), ... - -The following coefficients must be defined for each angle type via the -"angle_coeff"_angle_coeff.html command as in the example above, or in -the data file or restart files read by the "read_data"_read_data.html -or "read_restart"_read_restart.html commands: - -K (energy/radian^2) -theta0 (degrees) :ul - -Theta0 is specified in degrees, but LAMMPS converts it to radians -internally; hence the units of K are in energy/radian^2. - -[Restrictions:] - -This angle style can only be used if LAMMPS was built with the -USER_YAFF package. See the "Build package"_Build_package.html doc -page for more info. - -[Related commands:] - -"angle_coeff"_angle_coeff.html - -[Default:] none - -:line -