diff --git a/doc/src/pair_wf_cut.rst b/doc/src/pair_wf_cut.rst index 4236c2cf51..3547522157 100644 --- a/doc/src/pair_wf_cut.rst +++ b/doc/src/pair_wf_cut.rst @@ -25,7 +25,13 @@ Examples Description """"""""""" -The *wf/cut* (Wang-Frenkel) style computes LJ-like potentials as described in :ref:`Wang2020 `. This potential is by construction finite ranged and it vanishes quadratically at the cutoff distance, avoiding truncation, shifting, interpolation and other typical procedures with the LJ potential. The *wf/cut* can be used when a typical short-ranged potential with attraction is required. The potential is given by which is given by: +The *wf/cut* (Wang-Frenkel) style computes LJ-like potentials as +described in :ref:`Wang2020 `. This potential is by +construction finite ranged and it vanishes quadratically at the cutoff +distance, avoiding truncation, shifting, interpolation and other typical +procedures with the LJ potential. The *wf/cut* can be used when a +typical short-ranged potential with attraction is required. The +potential is given by which is given by: .. math:: \phi(r)= \epsilon \alpha \left(\left[{\sigma\over r}\right]^{2\mu} -1 \right)\left(\left[{r_c\over r}\right]^{2\mu}-1\right)^{2\nu} @@ -40,9 +46,13 @@ and .. math:: r_{min}=r_c\left[\frac{1+2\nu}{1+2\nu(r_c/\sigma)^{2\nu}}\right]^{1/{2\nu}} -:math:`r_c` is the cutoff. +:math:`r_c` is the cutoff. -Comparison of the untruncated Lennard-Jones 12-6 potential (red curve), and the WF potentials with :math:`\mu=1` and :math:`\nu=1` are shown in the figure below. The blue curve has :math:`r_c =2.0` and the green curve has :math:`r_c =1.2` and can be used to describe colloidal interactions. +Comparison of the untruncated Lennard-Jones 12-6 potential (red curve), +and the WF potentials with :math:`\mu=1` and :math:`\nu=1` are shown in +the figure below. The blue curve has :math:`r_c =2.0` and the green +curve has :math:`r_c =1.2` and can be used to describe colloidal +interactions. .. image:: JPG/WF_LJ.jpg :align: center @@ -56,16 +66,18 @@ commands: * :math:`\epsilon` (energy units) * :math:`\sigma` (distance units) -* :math:`\nu` +* :math:`\nu` * :math:`\mu` * :math:`r_c` (distance units) -The last coefficient is optional. If not specified, the global cutoff given in the pair_style command is used. -The exponents :math:`\nu` and :math:`\mu` are positive integers, usually set to 1. There is usually little to be gained by choosing other values of :math:`\nu` and :math:`\mu` (See discussion in :ref:`Wang2020 `) +The last coefficient is optional. If not specified, the global cutoff +given in the pair_style command is used. The exponents :math:`\nu` and +:math:`\mu` are positive integers, usually set to 1. There is usually +little to be gained by choosing other values of :math:`\nu` and +:math:`\mu` (See discussion in :ref:`Wang2020 `) ---------- - **Mixing, shift, table, tail correction, restart, rRESPA info**\ : This pair style does not support the :doc:`pair_modify ` @@ -74,16 +86,15 @@ mixing and table options. The :doc:`pair_modify ` tail option is not relevant for this pair style as it goes to zero at the cut-off radius. -This pair style writes its information to :doc:`binary restart files `, so pair\_style and pair\_coeff commands do not need -to be specified in an input script that reads a restart file. - -This pair style does not support the use of the *inner*\ , *middle*\ , and *outer* -keywords of the :doc:`run_style respa ` command. +This pair style writes its information to :doc:`binary restart files +`, so pair_style and pair_coeff commands do not need to be +specified in an input script that reads a restart file. +This pair style does not support the use of the *inner*\ , *middle*\ , +and *outer* keywords of the :doc:`run_style respa ` command. ---------- - Restrictions """""""""""" This pair style can only be used if LAMMPS was built with the