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28
doc/pair_zbl.html
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@ -28,21 +28,26 @@ pair_coeff 1 1 14.0
</P>
<P>Style <I>zbl</I> computes the Zeigler-Biersack-Littmark (ZBL) repulsive
interaction for describing high-energy collisions between atoms.
<A HREF = "#Zeigler">(Zeigler)</A>. It includes an additional switching function
S(r) that ramps the energy, force, and curvature
smoothly to zero between an inner and outer cutoff. The switching
function is the same one used in <A HREF = "pair_gromacs.html">pair_style lj/gromacs</A>.
<A HREF = "#Zeigler">(Zeigler)</A>. It includes an additional switching function
S(r) that ramps the energy, force, and curvature smoothly to zero
between an inner and outer cutoff. The switching function is the same
one used in <A HREF = "pair_gromacs.html">pair_style lj/gromacs</A>.
</P>
<P>The inner and outer cutoff are the same for all pairs of
atom types.
</P>
<P>A single dimensionless coefficient Z must be defined for each atom
type 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
<P>The following coefficient 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. Z is usually taken to be the atomic number
of the element. Z can not be specified for two different atoms types.
Therefore the lists of atom types I and atom types J must match.
commands:
</P>
<UL><LI>Z (dimensionless)
</UL>
<P>Although Z must be defined for all atom type pairs I,J, it is only
stored for individual atom types, i.e. when I = J. Z is usually taken
to be the atomic number of the element that corresponds to the atom
type.
</P>
<HR>
@ -86,6 +91,7 @@ support the <I>inner</I>, <I>middle</I>, <I>outer</I> keywords.
<A NAME = "Zeigler"></A>
<P><B>(Zeigler)</B> J.F. Zeigler, J. P. Biersack and U. Littmark, "The Stopping and Range of Ions in Matter," Volume 1, Pergamon, 1985.
<P><B>(Zeigler)</B> J.F. Zeigler, J. P. Biersack and U. Littmark, "The
Stopping and Range of Ions in Matter," Volume 1, Pergamon, 1985.
</P>
</HTML>

28
doc/pair_zbl.txt
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@ -25,21 +25,26 @@ pair_coeff 1 1 14.0 :pre
Style {zbl} computes the Zeigler-Biersack-Littmark (ZBL) repulsive
interaction for describing high-energy collisions between atoms.
"(Zeigler)"_#Zeigler. It includes an additional switching function
S(r) that ramps the energy, force, and curvature
smoothly to zero between an inner and outer cutoff. The switching
function is the same one used in "pair_style lj/gromacs"_pair_gromacs.html.
"(Zeigler)"_#Zeigler. It includes an additional switching function
S(r) that ramps the energy, force, and curvature smoothly to zero
between an inner and outer cutoff. The switching function is the same
one used in "pair_style lj/gromacs"_pair_gromacs.html.
The inner and outer cutoff are the same for all pairs of
atom types.
A single dimensionless coefficient Z must be defined for each atom
type via the "pair_coeff"_pair_coeff.html command as in the examples
above, or in the data file or restart files read by the
The following coefficient 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. Z is usually taken to be the atomic number
of the element. Z can not be specified for two different atoms types.
Therefore the lists of atom types I and atom types J must match.
commands:
Z (dimensionless) :ul
Although Z must be defined for all atom type pairs I,J, it is only
stored for individual atom types, i.e. when I = J. Z is usually taken
to be the atomic number of the element that corresponds to the atom
type.
:line
@ -82,4 +87,5 @@ support the {inner}, {middle}, {outer} keywords.
:line
:link(Zeigler)
[(Zeigler)] J.F. Zeigler, J. P. Biersack and U. Littmark, "The Stopping and Range of Ions in Matter," Volume 1, Pergamon, 1985.
[(Zeigler)] J.F. Zeigler, J. P. Biersack and U. Littmark, "The
Stopping and Range of Ions in Matter," Volume 1, Pergamon, 1985.