diff --git a/doc/src/Eqs/pair_beck.jpg b/doc/src/Eqs/pair_beck.jpg deleted file mode 100644 index a6da8a87d1..0000000000 Binary files a/doc/src/Eqs/pair_beck.jpg and /dev/null differ diff --git a/doc/src/Eqs/pair_beck.tex b/doc/src/Eqs/pair_beck.tex deleted file mode 100644 index dde6b6ef51..0000000000 --- a/doc/src/Eqs/pair_beck.tex +++ /dev/null @@ -1,11 +0,0 @@ -\documentstyle[12pt]{article} - -\begin{document} - -$$ -E\left(r\right) = A \exp\left[-\alpha r - \beta r^6\right] - -\frac{B}{\left(r^2+a^2\right)^3} \left(1+\frac{2.709+3a^2}{r^2+a^2}\right) - \qquad r < R_c -$$ - -\end{document} diff --git a/doc/src/pair_beck.rst b/doc/src/pair_beck.rst index 6a407e11a9..88abfe9798 100644 --- a/doc/src/pair_beck.rst +++ b/doc/src/pair_beck.rst @@ -1,19 +1,19 @@ -.. index:: pair\_style beck +.. index:: pair_style beck -pair\_style beck command -======================== +pair_style beck command +======================= -pair\_style beck/gpu command -============================ +pair_style beck/gpu command +=========================== -pair\_style beck/omp command -============================ +pair_style beck/omp command +=========================== Syntax """""" -.. parsed-literal:: +.. code-block:: LAMMPS pair_style beck Rc @@ -23,10 +23,10 @@ Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS pair_style beck 8.0 - pair_coeff \* \* 399.671876712 0.0000867636112694 0.675 4.390 0.0003746 + pair_coeff * * 399.671876712 0.0000867636112694 0.675 4.390 0.0003746 pair_coeff 1 1 399.671876712 0.0000867636112694 0.675 4.390 0.0003746 6.0 Description @@ -36,8 +36,10 @@ Style *beck* computes interactions based on the potential by :ref:`(Beck) `, originally designed for simulation of Helium. It includes truncation at a cutoff distance Rc. -.. image:: Eqs/pair_beck.jpg - :align: center +.. math:: + + E(r) &= A \exp\left[-\alpha r - \beta r^6\right] - \frac{B}{\left(r^2+a^2\right)^3} \left(1+\frac{2.709+3a^2}{r^2+a^2}\right) \qquad r < R_c \\ + The following coefficients must be defined for each pair of atoms types via the :doc:`pair_coeff ` command as in the examples @@ -45,15 +47,15 @@ above, or in the data file or restart files read by the :doc:`read_data ` or :doc:`read_restart ` commands. -* A (energy units) -* B (energy-distance\^6 units) -* a (distance units) -* alpha (1/distance units) -* beta (1/distance\^6 units) +* :math:`A` (energy units) +* :math:`B` (energy-distance\^6 units) +* :math:`a` (distance units) +* :math:`\alpha` (1/distance units) +* :math:`\beta` (1/distance\^6 units) * cutoff (distance units) The last coefficient is optional. If not specified, the global cutoff -Rc is used. +:math:`R_c` is used. ---------- @@ -108,7 +110,7 @@ This pair style can only be used via the *pair* keyword of the Restrictions """""""""""" - none +none Related commands """"""""""""""""