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doc/pair_eam.html
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@ -27,24 +27,21 @@
</P>
<PRE>pair_style style
</PRE>
<UL><LI>style = <I>eam</I> or <I>eam/alloy</I> or <I>eam/cd</I> or <I>eam/fs</I> or <I>eam/opt</I> or <I>eam/alloy/opt</I> or <I>eam/fs/opt</I>
<UL><LI>style = <I>eam</I> or <I>eam/alloy</I> or <I>eam/cd</I> or <I>eam/fs</I>
</UL>
<P><B>Examples:</B>
</P>
<PRE>pair_style eam
pair_style eam/opt
pair_coeff * * cuu3
pair_coeff 1*3 1*3 niu3.eam
</PRE>
<PRE>pair_style eam/alloy
pair_style eam/alloy/opt
pair_coeff * * ../potentials/NiAlH_jea.eam.alloy Ni Al Ni Ni
</PRE>
<PRE>pair_style eam/cd
pair_coeff * * ../potentials/FeCr.cdeam Fe Cr
</PRE>
<PRE>pair_style eam/fs
pair_style eam/fs/opt
pair_coeff * * NiAlH_jea.eam.fs Ni Al Ni Ni
</PRE>
<P><B>Description:</B>
@ -62,9 +59,6 @@ nature of the EAM potential is a result of the embedding energy term.
Both summations in the formula are over all neighbors J of atom I
within the cutoff distance.
</P>
<P>Style (eam/opt</I> is an optimized version of style <I>eam</I>. See
more details below.
</P>
<P>The cutoff distance and the tabulated values of the functionals F,
rho, and phi are listed in one or more files which are specified by
the <A HREF = "pair_coeff.html">pair_coeff</A> command. These are ASCII text files
@ -183,9 +177,6 @@ above, <I>setfl</I> files contain explicit tabulated values for alloy
interactions. Thus they allow more generality than <I>funcfl</I> files for
modeling alloys.
</P>
<P>Style (eam/alloy/opt</I> is an optimized version of style <I>eam/alloy</I>.
See more details below.
</P>
<P>For style <I>eam/alloy</I>, potential values are read from a file that is
in the DYNAMO multi-element <I>setfl</I> format, except that element names
(Ni, Cu, etc) are added to one of the lines in the file. If the
@ -306,9 +297,6 @@ so that different elements can contribute differently to the total
electron density at an atomic site depending on the identity of the
element at that atomic site.
</P>
<P>Style (eam/fs/opt</I> is an optimized version of style <I>eam/fs</I>. See
more details below.
</P>
<P>The associated <A HREF = "pair_coeff.html">pair_coeff</A> command for style <I>eam/fs</I>
reads a DYNAMO <I>setfl</I> file that has been extended to include
additional rho_alpha_beta arrays of tabulated values. A discussion of
@ -371,10 +359,25 @@ are listed.
</P>
<HR>
<P>The styles with an <I>opt</I> suffix are identical to the corresponding
styles without the suffix, except that it is written in an optimized
fashion for faster CPU execution. See <A HREF = "doc/Section_accerate.html">this
section</A> of the manual for more details.
<P>Styles with a <I>cuda</I>, <I>gpu</I>, or <I>opt</I> suffix are functionally the same
as the corresponding style without the suffix. They have been
optimized to run faster, depending on your available hardware, as
discussed in <A HREF = "Section_accelerate.html">this section</A> of the manual.
The accelerated styles take the same arguments and should produce the
same results, except for round-off and precision issues.
</P>
<P>These accelerated styles are part of the "user-cuda", "gpu", and "opt"
packages respectively. They are only enabled if LAMMPS was built with
those packages. See the <A HREF = "Section_start.html#2_3">Making LAMMPS</A>
section for more info.
</P>
<P>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <A HREF = "Section_start.html#2_6">-suffix command-line
switch</A> when you invoke LAMMPS, or you can use
the <A HREF = "suffix.html">suffix</A> command in your input script.
</P>
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
instructions on how to use the accelerated styles effectively.
</P>
<HR>
@ -401,11 +404,9 @@ an input script that reads a restart file.
<P><B>Restrictions:</B>
</P>
<P>All of these styles except those ending in <I>opt</I> and the <I>eam/cd</I>
style are part of the "manybody" package. They are only enabled if
LAMMPS was built with that package (which it is by default). The
styles with an <I>opt</I> suffix are part of the "opt" package. They are
only enabled if LAMMPS was built with that packages. See the <A HREF = "Section_start.html#2_3">Making
<P>All of these styles except the <I>eam/cd</I> style are part of the
"manybody" package. They are only enabled if LAMMPS was built with
that package (which it is by default). See the <A HREF = "Section_start.html#2_3">Making
LAMMPS</A> section for more info.
</P>
<P>The <I>eam/cd</I> style is part of the "user-cd-eam" package and also