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doc/improper_coeff.html
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@ -69,7 +69,8 @@ specified by the associated <A HREF = "improper_coeff.html">improper_coeff</A> c
</UL>
<UL><LI><A HREF = "improper_class2.html">improper_style class2</A> - COMPASS (class 2) improper
<LI><A HREF = "improper_cvff.html">improper_style cvff</A> - CVFF improper
<LI><A HREF = "improper_harmonic.html">improper_style harmonic</A> - harmonic improper
<LI><A HREF = "improper_harmonic.html">improper_style harmonic</A> - harmonic improper
<LI><A HREF = "improper_umbrella.html">improper_style umbrella</A> - DREIDING improper
</UL>
<P>There are also additional improper styles submitted by users which are
included in the LAMMPS distribution. The list of these with links to

3
doc/improper_coeff.txt
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@ -66,7 +66,8 @@ specified by the associated "improper_coeff"_improper_coeff.html command:
"improper_style class2"_improper_class2.html - COMPASS (class 2) improper
"improper_style cvff"_improper_cvff.html - CVFF improper
"improper_style harmonic"_improper_harmonic.html - harmonic improper :ul
"improper_style harmonic"_improper_harmonic.html - harmonic improper
"improper_style umbrella"_improper_umbrella.html - DREIDING improper :ul
There are also additional improper styles submitted by users which are
included in the LAMMPS distribution. The list of these with links to

3
doc/improper_style.html
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@ -66,7 +66,8 @@ specified by the associated <A HREF = "improper_coeff.html">improper_coeff</A> c
</UL>
<UL><LI><A HREF = "improper_class2.html">improper_style class2</A> - COMPASS (class 2) improper
<LI><A HREF = "improper_cvff.html">improper_style cvff</A> - CVFF improper
<LI><A HREF = "improper_harmonic.html">improper_style harmonic</A> - harmonic improper
<LI><A HREF = "improper_harmonic.html">improper_style harmonic</A> - harmonic improper
<LI><A HREF = "improper_umbrella.html">improper_style umbrella</A> - DREIDING improper
</UL>
<P>There are also additional improper styles submitted by users which are
included in the LAMMPS distribution. The list of these with links to

3
doc/improper_style.txt
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@ -63,7 +63,8 @@ specified by the associated "improper_coeff"_improper_coeff.html command:
"improper_style class2"_improper_class2.html - COMPASS (class 2) improper
"improper_style cvff"_improper_cvff.html - CVFF improper
"improper_style harmonic"_improper_harmonic.html - harmonic improper :ul
"improper_style harmonic"_improper_harmonic.html - harmonic improper
"improper_style umbrella"_improper_umbrella.html - DREIDING improper :ul
There are also additional improper styles submitted by users which are
included in the LAMMPS distribution. The list of these with links to

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doc/improper_umbrella.html Normal file
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@ -0,0 +1,70 @@
<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>improper_style umbrella command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>improper_style umbrella
</PRE>
<P><B>Examples:</B>
</P>
<PRE>improper_style umbrella
improper_coeff 1 100.0 180.0
</PRE>
<P><B>Description:</B>
</P>
<P>The <I>umbrella</I> improper style uses the following potential, which is
commonly referred to as a classic inversion and used in the
<A HREF = "Section_howto.html#4_4">DREIDING</A> force field:
</P>
<CENTER><IMG SRC = "Eqs/improper_umbrella.jpg">
</CENTER>
<P>where K is the force constant and omega is the angle between the IL
axis and the IJK plane:
</P>
<CENTER><IMG SRC = "Eqs/umbrella.jpg">
</CENTER>
<P>If omega0 = 0 the potential term has a minimum for the planar
structure. Otherwise it has two minima at +/- omega0, with a barrier
in between.
</P>
<P>See <A HREF = "#Mayo">(Mayo)</A> for a description of the DREIDING force field.
</P>
<P>The following coefficients must be defined for each improper type via
the <A HREF = "improper_coeff.html">improper_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>K (energy)
<LI>omega0 (degrees)
</UL>
<P><B>Restrictions:</B>
</P>
<P>This improper style can only be used if LAMMPS was built with the
"molecular" package (which it is by default). See the <A HREF = "Section_start.html#2_3">Making
LAMMPS</A> section for more info on packages.
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "improper_coeff.html">improper_coeff</A>
</P>
<P><B>Default:</B> none
</P>
<HR>
<A NAME = "Mayo"></A>
<P><B>(Mayo)</B> Mayo, Olfason, Goddard III, J Phys Chem, 94, 8897-8909
(1990),
</P>
</HTML>

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"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
improper_style umbrella command :h3
[Syntax:]
improper_style umbrella :pre
[Examples:]
improper_style umbrella
improper_coeff 1 100.0 180.0 :pre
[Description:]
The {umbrella} improper style uses the following potential, which is
commonly referred to as a classic inversion and used in the
"DREIDING"_Section_howto.html#4_4 force field:
:c,image(Eqs/improper_umbrella.jpg)
where K is the force constant and omega is the angle between the IL
axis and the IJK plane:
:c,image(Eqs/umbrella.jpg)
If omega0 = 0 the potential term has a minimum for the planar
structure. Otherwise it has two minima at +/- omega0, with a barrier
in between.
See "(Mayo)"_#Mayo for a description of the DREIDING force field.
The following coefficients must be defined for each improper type via
the "improper_coeff"_improper_coeff.html command as in the example
above, or in the data file or restart files read by the
"read_data"_read_data.html or "read_restart"_read_restart.html
commands:
K (energy)
omega0 (degrees) :ul
[Restrictions:]
This improper style can only be used if LAMMPS was built with the
"molecular" package (which it is by default). See the "Making
LAMMPS"_Section_start.html#2_3 section for more info on packages.
[Related commands:]
"improper_coeff"_improper_coeff.html
[Default:] none
:line
:link(Mayo)
[(Mayo)] Mayo, Olfason, Goddard III, J Phys Chem, 94, 8897-8909
(1990),