diff --git a/doc/src/Eqs/bond_class2.jpg b/doc/src/Eqs/bond_class2.jpg deleted file mode 100644 index 493048100e..0000000000 Binary files a/doc/src/Eqs/bond_class2.jpg and /dev/null differ diff --git a/doc/src/Eqs/bond_class2.tex b/doc/src/Eqs/bond_class2.tex deleted file mode 100644 index 0735b61025..0000000000 --- a/doc/src/Eqs/bond_class2.tex +++ /dev/null @@ -1,9 +0,0 @@ -\documentclass[12pt]{article} - -\begin{document} - -$$ - E = K_2 (r - r_0)^2 + K_3 (r - r_0)^3 + K_4 (r - r_0)^4 -$$ - -\end{document} \ No newline at end of file diff --git a/doc/src/bond_class2.rst b/doc/src/bond_class2.rst index 9a7987fa39..e3098ef6dc 100644 --- a/doc/src/bond_class2.rst +++ b/doc/src/bond_class2.rst @@ -1,19 +1,19 @@ -.. index:: bond\_style class2 +.. index:: bond_style class2 -bond\_style class2 command -========================== +bond_style class2 command +========================= -bond\_style class2/omp command -============================== - -bond\_style class2/kk command +bond_style class2/omp command ============================= +bond_style class2/kk command +============================ + Syntax """""" -.. parsed-literal:: +.. code-block:: LAMMPS bond_style class2 @@ -21,7 +21,7 @@ Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS bond_style class2 bond_coeff 1 1.0 100.0 80.0 80.0 @@ -31,10 +31,12 @@ Description The *class2* bond style uses the potential -.. image:: Eqs/bond_class2.jpg - :align: center +.. math:: -where r0 is the equilibrium bond distance. + E = K_2 (r - r_0)^2 + K_3 (r - r_0)^3 + K_4 (r - r_0)^4 + + +where :math:`r_0` is the equilibrium bond distance. See :ref:`(Sun) ` for a description of the COMPASS class2 force field. @@ -43,10 +45,10 @@ The following coefficients must be defined for each bond type via the the data file or restart files read by the :doc:`read\_data ` or :doc:`read\_restart ` commands: -* R0 (distance) -* K2 (energy/distance\^2) -* K3 (energy/distance\^3) -* K4 (energy/distance\^4) +* :math:`r_0` (distance) +* :math:`K_2` (energy/distance\^2) +* :math:`K_3` (energy/distance\^3) +* :math:`K_4` (energy/distance\^4) ---------- @@ -98,8 +100,3 @@ Related commands **(Sun)** Sun, J Phys Chem B 102, 7338-7364 (1998). - - -.. _lws: http://lammps.sandia.gov -.. _ld: Manual.html -.. _lc: Commands_all.html diff --git a/doc/txt/bond_class2.txt b/doc/txt/bond_class2.txt deleted file mode 100644 index 4390e3613c..0000000000 --- a/doc/txt/bond_class2.txt +++ /dev/null @@ -1,81 +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 class2 command :h3 -bond_style class2/omp command :h3 -bond_style class2/kk command :h3 - -[Syntax:] - -bond_style class2 :pre - -[Examples:] - -bond_style class2 -bond_coeff 1 1.0 100.0 80.0 80.0 :pre - -[Description:] - -The {class2} bond style uses the potential - -:c,image(Eqs/bond_class2.jpg) - -where r0 is the equilibrium bond distance. - -See "(Sun)"_#bond-Sun for a description of the COMPASS class2 force field. - -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: - -R0 (distance) -K2 (energy/distance^2) -K3 (energy/distance^3) -K4 (energy/distance^4) :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 CLASS2 -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 - -[Default:] none - -:line - -:link(bond-Sun) -[(Sun)] Sun, J Phys Chem B 102, 7338-7364 (1998).