diff --git a/doc/src/Eqs/bond_harmonic_shift.jpg b/doc/src/Eqs/bond_harmonic_shift.jpg deleted file mode 100644 index 3e66d853a5..0000000000 Binary files a/doc/src/Eqs/bond_harmonic_shift.jpg and /dev/null differ diff --git a/doc/src/Eqs/bond_harmonic_shift.tex b/doc/src/Eqs/bond_harmonic_shift.tex deleted file mode 100644 index 3daa16724f..0000000000 --- a/doc/src/Eqs/bond_harmonic_shift.tex +++ /dev/null @@ -1,9 +0,0 @@ -\documentclass[12pt]{article} - -\begin{document} - -$$ - E = \frac{Umin}{(r_0-r_c)^2} \left[ (r-r_0)^2-(r_c-r_0)^2 \right] -$$ - -\end{document} \ No newline at end of file diff --git a/doc/src/bond_harmonic_shift.rst b/doc/src/bond_harmonic_shift.rst index c3c3d7eac1..cc39bda7a7 100644 --- a/doc/src/bond_harmonic_shift.rst +++ b/doc/src/bond_harmonic_shift.rst @@ -1,16 +1,16 @@ -.. index:: bond\_style harmonic/shift +.. index:: bond_style harmonic/shift -bond\_style harmonic/shift command -================================== +bond_style harmonic/shift command +================================= -bond\_style harmonic/shift/omp command -====================================== +bond_style harmonic/shift/omp command +===================================== Syntax """""" -.. parsed-literal:: +.. code-block:: LAMMPS bond_style harmonic/shift @@ -18,7 +18,7 @@ Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS bond_style harmonic/shift bond_coeff 5 10.0 0.5 1.0 @@ -29,23 +29,25 @@ Description The *harmonic/shift* bond style is a shifted harmonic bond that uses the potential -.. image:: Eqs/bond_harmonic_shift.jpg - :align: center +.. math:: -where r0 is the equilibrium bond distance, and rc the critical distance. -The potential is -Umin at r0 and zero at rc. The spring constant is -k = Umin / [ 2 (r0-rc)\^2]. + E = \frac{U_{\text{min}}}{(r_0-r_c)^2} \left[ (r-r_0)^2-(r_c-r_0)^2 \right] + + +where :math:`r_0` is the equilibrium bond distance, and :math:`r_c` the critical distance. +The potential is :math:`-U_{\text{min}}` at :math:`r0` and zero at :math:`r_c`. The spring constant is +:math:`k = U_{\text{min}} / [ 2 (r_0-r_c)^2]`. The following coefficients must be defined for each bond type via the :doc:`bond\_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) +* :math:`U_{\text{min}}` (energy) -* r0 (distance) +* :math:`r_0` (distance) -* rc (distance) +* :math:`r_c` (distance) ---------- @@ -88,8 +90,3 @@ Related commands :doc:`bond\_harmonic ` **Default:** none - - -.. _lws: http://lammps.sandia.gov -.. _ld: Manual.html -.. _lc: Commands_all.html diff --git a/doc/txt/bond_harmonic_shift.txt b/doc/txt/bond_harmonic_shift.txt deleted file mode 100644 index 23d3dcb5d5..0000000000 --- a/doc/txt/bond_harmonic_shift.txt +++ /dev/null @@ -1,76 +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 - -bond_style harmonic/shift command :h3 -bond_style harmonic/shift/omp command :h3 - -[Syntax:] - -bond_style harmonic/shift :pre - -[Examples:] - -bond_style harmonic/shift -bond_coeff 5 10.0 0.5 1.0 :pre - -[Description:] - -The {harmonic/shift} bond style is a shifted harmonic bond that uses -the potential - -:c,image(Eqs/bond_harmonic_shift.jpg) - -where r0 is the equilibrium bond distance, and rc the critical distance. -The potential is -Umin at r0 and zero at rc. The spring constant is -k = Umin / \[ 2 (r0-rc)^2\]. - -The following coefficients must be defined for each bond type via the -"bond_coeff"_bond_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) :ul -r0 (distance) :ul -rc (distance) :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 bond style can only be used if LAMMPS was built with the -USER-MISC package. See the "Build package"_Build_package.html doc -page for more info. - -[Related commands:] - -"bond_coeff"_bond_coeff.html, "delete_bonds"_delete_bonds.html, -"bond_harmonic"_bond_harmonic.html - -[Default:] none