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bond_style_nonlinear.html
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Fri, Mar 28, 15:01
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rLAMMPS lammps
bond_style_nonlinear.html
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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>
bond_style nonlinear command
</H3>
<P><B>
Syntax:
</B>
</P>
<PRE>
bond_style nonlinear
</PRE>
<P><B>
Examples:
</B>
</P>
<PRE>
bond_style nonlinear
bond_coeff 2 100.0 1.1 1.4
</PRE>
<P><B>
Description:
</B>
</P>
<P>
The
<I>
nonlinear
</I>
bond style uses the potential
</P>
<CENTER><IMG
SRC =
"Eqs/bond_nonlinear.jpg"
>
</CENTER>
<P>
to define an anharmonic spring
<A
HREF =
"#Rector"
>
(Rector)
</A>
of equilibrium
length r0 and maximum extension lamda.
</P>
<P>
The following coefficients must be defined for each bond type via the
<A
HREF =
"bond_coeff.html"
>
bond_coeff
</A>
command as in the example 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>
epsilon (energy)
<LI>
r0 (distance)
<LI>
lamda (distance)
</UL>
<P><B>
Restrictions:
</B>
</P>
<P>
Bond styles can only be set for atom styles that allow bonds to be
defined.
</P>
<P>
This bond style is part of the "molecular" package. It is only
enabled if LAMMPS was built with that package. See the
<A
HREF =
"Section_start.html#2_2"
>
Making
LAMMPS
</A>
section for more info.
</P>
<P><B>
Related commands:
</B>
</P>
<P><A
HREF =
"bond_coeff.html"
>
bond_coeff
</A>
,
<A
HREF =
"delete_bonds.html"
>
delete_bonds
</A>
</P>
<P><B>
Default:
</B>
none
</P>
<HR>
<A
NAME =
"Rector"
></A>
<P><B>
(Rector)
</B>
Rector, Van Swol, Henderson, Molecular Physics, 82, 1009 (1994).
</P>
</HTML>
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