diff --git a/doc/src/Eqs/angle_harmonic.jpg b/doc/src/Eqs/angle_harmonic.jpg deleted file mode 100644 index 352be0b544..0000000000 Binary files a/doc/src/Eqs/angle_harmonic.jpg and /dev/null differ diff --git a/doc/src/Eqs/angle_harmonic.tex b/doc/src/Eqs/angle_harmonic.tex deleted file mode 100644 index c566376b5b..0000000000 --- a/doc/src/Eqs/angle_harmonic.tex +++ /dev/null @@ -1,9 +0,0 @@ -\documentclass[12pt]{article} - -\begin{document} - -$$ - E = K (\theta - \theta_0)^2 -$$ - -\end{document} \ No newline at end of file diff --git a/doc/src/angle_harmonic.rst b/doc/src/angle_harmonic.rst index 87b71ad9ad..1066621729 100644 --- a/doc/src/angle_harmonic.rst +++ b/doc/src/angle_harmonic.rst @@ -1,22 +1,22 @@ -.. index:: angle\_style harmonic +.. index:: angle_style harmonic -angle\_style harmonic command -============================= +angle_style harmonic command +============================ -angle\_style harmonic/intel command -=================================== +angle_style harmonic/intel command +================================== -angle\_style harmonic/kk command +angle_style harmonic/kk command +=============================== + +angle_style harmonic/omp command ================================ -angle\_style harmonic/omp command -================================= - Syntax """""" -.. parsed-literal:: +.. code-block:: LAMMPS angle_style harmonic @@ -24,7 +24,7 @@ Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS angle_style harmonic angle_coeff 1 300.0 107.0 @@ -34,22 +34,24 @@ Description The *harmonic* angle style uses the potential -.. image:: Eqs/angle_harmonic.jpg - :align: center +.. math:: -where theta0 is the equilibrium value of the angle, and K is a -prefactor. Note that the usual 1/2 factor is included in K. + E = K (\theta - \theta_0)^2 + + +where :math:`\theta_0` is the equilibrium value of the angle, and :math:`K` is a +prefactor. Note that the usual 1/2 factor is included in :math:`K`. 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. ---------- @@ -91,8 +93,3 @@ 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_harmonic.txt b/doc/txt/angle_harmonic.txt deleted file mode 100644 index b632f68478..0000000000 --- a/doc/txt/angle_harmonic.txt +++ /dev/null @@ -1,77 +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 harmonic command :h3 -angle_style harmonic/intel command :h3 -angle_style harmonic/kk command :h3 -angle_style harmonic/omp command :h3 - -[Syntax:] - -angle_style harmonic :pre - -[Examples:] - -angle_style harmonic -angle_coeff 1 300.0 107.0 :pre - -[Description:] - -The {harmonic} angle style uses the potential - -:c,image(Eqs/angle_harmonic.jpg) - -where theta0 is the equilibrium value of the angle, and K is a -prefactor. Note that the usual 1/2 factor is included in K. - -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. - -: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 -MOLECULE package. See the "Build package"_Build_package.html doc -page for more info. - -[Related commands:] - -"angle_coeff"_angle_coeff.html - -[Default:] none