diff --git a/doc/src/Eqs/angle_cosine_shift.jpg b/doc/src/Eqs/angle_cosine_shift.jpg deleted file mode 100644 index d9929939c8..0000000000 Binary files a/doc/src/Eqs/angle_cosine_shift.jpg and /dev/null differ diff --git a/doc/src/Eqs/angle_cosine_shift.tex b/doc/src/Eqs/angle_cosine_shift.tex deleted file mode 100644 index e795d6beff..0000000000 --- a/doc/src/Eqs/angle_cosine_shift.tex +++ /dev/null @@ -1,9 +0,0 @@ -\documentstyle[12pt]{article} - -\begin{document} - -$$ -E=-\frac{Umin}{2} \left[ 1+Cos(\theta-\theta_0) \right] -$$ - -\end{document} diff --git a/doc/src/angle_cosine_shift.rst b/doc/src/angle_cosine_shift.rst index 7bceb571b4..bd7b6416c7 100644 --- a/doc/src/angle_cosine_shift.rst +++ b/doc/src/angle_cosine_shift.rst @@ -1,16 +1,16 @@ -.. index:: angle\_style cosine/shift +.. index:: angle_style cosine/shift -angle\_style cosine/shift command +angle_style cosine/shift command ================================= -angle\_style cosine/shift/omp command -===================================== +angle_style cosine/shift/omp command +==================================== Syntax """""" -.. parsed-literal:: +.. code-block:: LAMMPS angle_style cosine/shift @@ -18,30 +18,33 @@ Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS angle_style cosine/shift - angle_coeff \* 10.0 45.0 + angle_coeff * 10.0 45.0 Description """"""""""" The *cosine/shift* angle style uses the potential -.. image:: Eqs/angle_cosine_shift.jpg - :align: center +.. math:: -where theta0 is the equilibrium angle. The potential is bounded -between -Umin and zero. In the neighborhood of the minimum E=- Umin + -Umin/4(theta-theta0)\^2 hence the spring constant is umin/2. + E = -\frac{U_{\text{min}}}{2} \left[ 1 + \cos(\theta-\theta_0) \right] + + +where :math:`\theta_0` is the equilibrium angle. The potential is bounded +between :math:`-U_{\text{min}}` and zero. In the neighborhood of the minimum +:math:`E = - U_{\text{min}} + U_{\text{min}}/4(\theta - \theta_0)^2` hence +the spring constant is :math:`\frac{U_{\text{min}}}{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: -* umin (energy) -* theta (angle) +* :math:`U_{\text{min}}` (energy) +* :math:`\theta` (angle) ---------- @@ -83,8 +86,3 @@ Related commands :doc:`angle\_cosine\_shift\_exp ` **Default:** none - - -.. _lws: http://lammps.sandia.gov -.. _ld: Manual.html -.. _lc: Commands_all.html diff --git a/doc/txt/angle_cosine_shift.txt b/doc/txt/angle_cosine_shift.txt deleted file mode 100644 index 65dc0924e5..0000000000 --- a/doc/txt/angle_cosine_shift.txt +++ /dev/null @@ -1,73 +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 cosine/shift command :h3 -angle_style cosine/shift/omp command :h3 - -[Syntax:] - -angle_style cosine/shift :pre - -[Examples:] - -angle_style cosine/shift -angle_coeff * 10.0 45.0 :pre - -[Description:] - -The {cosine/shift} angle style uses the potential - -:c,image(Eqs/angle_cosine_shift.jpg) - -where theta0 is the equilibrium angle. The potential is bounded -between -Umin and zero. In the neighborhood of the minimum E=- Umin + -Umin/4(theta-theta0)^2 hence the spring constant is umin/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: - -umin (energy) -theta (angle) :ul - -:line - -Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are -functionally the same as the corresponding style without the suffix. -They have been optimized to run faster, depending on your available -hardware, as discussed on the "Speed packages"_Speed_packages.html doc -page. The accelerated styles take the same arguments and should -produce the same results, except for round-off and precision issues. - -These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, -USER-OMP and OPT packages, respectively. They are only enabled if -LAMMPS was built with those packages. See the "Build -package"_Build_package.html doc page for more info. - -You can specify the accelerated styles explicitly in your input script -by including their suffix, or you can use the "-suffix command-line -switch"_Run_options.html when you invoke LAMMPS, or you can use the -"suffix"_suffix.html command in your input script. - -See the "Speed packages"_Speed_packages.html doc page for more -instructions on how to use the accelerated styles effectively. - -:line - -[Restrictions:] - -This angle style can only be used if LAMMPS was built with the -USER-MISC package. - -[Related commands:] - -"angle_coeff"_angle_coeff.html, -"angle_cosine_shift_exp"_angle_cosine_shift_exp.html - -[Default:] none