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<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 atm command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>pair_style atm args = cutoff
</PRE>
<P><B>Examples:</B>
</P>
<PRE>pair_style 2.5
pair_coeff * * * 0.072
</PRE>
<PRE>pair_style hybrid/overlay lj/cut 6.5 atm 2.5
pair_coeff * * lj/cut 1.0 1.0
pair_coeff * * atm * 0.072
</PRE>
<P><B>Description:</B>
</P>
<P>The <I>atm</I> style computes a 3-body <A HREF = "#Axilrod">Axilrod-Teller-Muto</A>
potential for the energy E of a system of atoms as
</P>
<CENTER><IMG SRC = "Eqs/pair_atm.jpg">
</CENTER>
<P>where r12, r23 and r31 are the distances between the atoms,
gamma1 is included by the sides r12 and r31
with similar definitions for gamma2 and gamma3,
nu is the three-body interaction strength (energy times distance^9 units).
</P>
<P>The <I>atm</I> is typically used in compination with some two-body potential
using <A HREF = "pair_hybrid.html">hybrid/overlay</A> style as in an example above.
</P>
<P>The calculations are not undertaken if the distances between atoms satisfy
r12 r23 r31 > curoff^3. Virtual cutoff distance based on a user defined
tolerance tol is not used.
</P>
<P>The Axilrod-Teller-Muto potential file must contain entries for all the
elements listed in the pair_coeff command. It can also contain
entries for additional elements not being used in a particular
simulation; LAMMPS ignores those entries.
</P>
<P>For a single-element simulation, only a single entry is required
(e.g. 1 1 1). For a two-element simulation, the file must contain 4
entries (eg. 1 1 1, 1 1 2, 1 2 2, 2 2 2), that
specify ATM parameters for all combinations of the two elements
interacting in three-body configurations. Thus for 3 elements, 10
entries would be required, etc.
</P>
<HR>
<P><B>Shift, table, tail correction, rRESPA info</B>:
</P>
<P>This pair style does not support the <A HREF = "pair_modify.html">pair_modify</A>
shift, table, and tail options.
</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>
</P>
<P>This pair style is part of the MANYBODY package. It is only enabled
if LAMMPS was built with that package. See
the <A HREF = "Section_start.html#start_3">Making LAMMPS</A> section for more info.
</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 = "Axilrod"></A>
<P><B>(Axilrod)</B>
Axilrod and Teller, J Chem Phys, 11, 299 (1943);
Muto, Nippon Sugaku Butsuri Gakkwaishi 17, 629 (1943).
</P>
</HTML>