diff --git a/doc/pair_beck.html b/doc/pair_beck.html index 3a031b880..9d101812e 100644 --- a/doc/pair_beck.html +++ b/doc/pair_beck.html @@ -1,90 +1,90 @@ <HTML> <CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A> </CENTER> <HR> -<H3>pair_style beck/cut command +<H3>pair_style beck command </H3> <P><B>Syntax:</B> </P> -<PRE>pair_style beck/cut Rc +<PRE>pair_style beck Rc </PRE> <UL><LI>Rc = cutoff for interactions (distance units) </UL> <P><B>Examples:</B> </P> <PRE>pair_style beck 8.0 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 </PRE> <P><B>Description:</B> </P> -<P>Style <I>beck/cut</I> computes interactions based on the potential by +<P>Style <I>beck</I> computes interactions based on the potential by <A HREF = "#Beck">(Beck)</A>, originally designed for simulation of Helium. It includes truncation at a cutoff distance Rc. </P> <CENTER><IMG SRC = "Eqs/pair_beck.jpg"> </CENTER> <P>The following coefficients must be defined for each pair of atoms types via the <A HREF = "pair_coeff.html">pair_coeff</A> command as in the examples above, or in the data file or restart files read by the <A HREF = "read_data.html">read_data</A> or <A HREF = "read_restart.html">read_restart</A> commands. </P> <UL><LI>A (energy units) <LI>B (energy-distance^6 units) <LI>a (distance units) <LI>alpha (1/distance units) <LI>beta (1/distance^6 units) <LI>cutoff (distance units) </UL> <P>The last coefficient is optional. If not specified, the global cutoff Rc is used. </P> <HR> <P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>: </P> <P>For atom type pairs I,J and I != J, coeffiecients must be specified. No default miture rules are used. </P> <P>This pair style does not support the <A HREF = "pair_modify.html">pair_modify</A> shift option for the energy of the pair interaction. </P> <P>The <A HREF = "pair_modify.html">pair_modify</A> table option is not relevant for this pair style. </P> <P>This pair style does not support the <A HREF = "pair_modify.html">pair_modify</A> tail option for adding long-range tail corrections. </P> <P>This pair style writes its information to <A HREF = "restart.html">binary restart files</A>, so pair_style and pair_coeff commands do not need to be specified in an input script that reads a restart file. </P> <P>This pair style can only be used via the <I>pair</I> keyword of the <A HREF = "run_style.html">run_style respa</A> command. It does not support the <I>inner</I>, <I>middle</I>, <I>outer</I> keywords. </P> <HR> <P><B>Restrictions:</B> none </P> <P><B>Related commands:</B> </P> <P><A HREF = "pair_coeff.html">pair_coeff</A> </P> <P><B>Default:</B> none </P> <HR> <A NAME = "Beck"></A> <P><B>(Beck)</B> Beck, Molecular Physics, 14, 311 (1968). </P> </HTML> diff --git a/doc/pair_beck.txt b/doc/pair_beck.txt index 314a7a50a..0ce83dea6 100644 --- a/doc/pair_beck.txt +++ b/doc/pair_beck.txt @@ -1,84 +1,84 @@ "LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c :link(lws,http://lammps.sandia.gov) :link(ld,Manual.html) :link(lc,Section_commands.html#comm) :line -pair_style beck/cut command :h3 +pair_style beck command :h3 [Syntax:] -pair_style beck/cut Rc :pre +pair_style beck Rc :pre Rc = cutoff for interactions (distance units) :ul [Examples:] pair_style beck 8.0 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 :pre [Description:] -Style {beck/cut} computes interactions based on the potential by +Style {beck} computes interactions based on the potential by "(Beck)"_#Beck, originally designed for simulation of Helium. It includes truncation at a cutoff distance Rc. :c,image(Eqs/pair_beck.jpg) The following coefficients must be defined for each pair of atoms types via the "pair_coeff"_pair_coeff.html command as in the examples above, or in the data file or restart files read by the "read_data"_read_data.html or "read_restart"_read_restart.html commands. A (energy units) B (energy-distance^6 units) a (distance units) alpha (1/distance units) beta (1/distance^6 units) cutoff (distance units) :ul The last coefficient is optional. If not specified, the global cutoff Rc is used. :line [Mixing, shift, table, tail correction, restart, rRESPA info]: For atom type pairs I,J and I != J, coeffiecients must be specified. No default miture rules are used. This pair style does not support the "pair_modify"_pair_modify.html shift option for the energy of the pair interaction. The "pair_modify"_pair_modify.html table option is not relevant for this pair style. This pair style does not support the "pair_modify"_pair_modify.html tail option for adding long-range tail corrections. This pair style writes its information to "binary restart files"_restart.html, 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 can only be used via the {pair} keyword of the "run_style respa"_run_style.html command. It does not support the {inner}, {middle}, {outer} keywords. :line [Restrictions:] none [Related commands:] "pair_coeff"_pair_coeff.html [Default:] none :line :link(Beck) [(Beck)] Beck, Molecular Physics, 14, 311 (1968).