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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2239 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2008-11-13 17:11:56 +00:00
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2 changed files with 26 additions and 22 deletions
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24
doc/pair_eam.html
View File

@ -81,6 +81,19 @@ to model alloy systems by invoking the <I>eam/alloy</I> or <I>eam/fs</I> styles
as described below. These files require no mixing since they specify as described below. These files require no mixing since they specify
alloy interactions explicitly. alloy interactions explicitly.
</P> </P>
<P>There are several WWW sites that distribute and document EAM
potentials stored in either the original DYNAMO or other formats:
</P>
<PRE>http://www.ctcms.nist.gov/potentials
http://cst-www.nrl.navy.mil/ccm6/ap
http://enpub.fulton.asu.edu/cms/potentials/main/main.htm
</PRE>
<P>These potentials should be usable with LAMMPS, though the alternate
formats would need to be converted to the DYNAMO format used by LAMMPS
and described on this page.
</P>
<HR>
<P>For style <I>eam</I>, potential values are read from a file that is in the <P>For style <I>eam</I>, potential values are read from a file that is in the
DYNAMO single-element <I>funcfl</I> format. If the DYNAMO file was created DYNAMO single-element <I>funcfl</I> format. If the DYNAMO file was created
by a Fortran program, it cannot have "D" values in it for exponents. by a Fortran program, it cannot have "D" values in it for exponents.
@ -356,17 +369,6 @@ the <A HREF = "Section_start.html#2_3">Making LAMMPS</A> section for more info.
</P> </P>
<P><A HREF = "pair_coeff.html">pair_coeff</A> <P><A HREF = "pair_coeff.html">pair_coeff</A>
</P> </P>
<P>Here are several WWW sites that discuss EAM potentials stored in
either the original DYNAMO or other formats:
</P>
<PRE>http://www.ims.uconn.edu/centers/simul/pot
http://cst-www.nrl.navy.mil/ccm6/ap
http://enpub.fulton.asu.edu/cms/potentials/main/main.htm
</PRE>
<P>In principle, these potentials could be used with LAMMPS, though the
alternate formats would need to be converted to the DYNAMO format used
by LAMMPS and described above.
</P>
<P><B>Default:</B> none <P><B>Default:</B> none
</P> </P>
<HR> <HR>

24
doc/pair_eam.txt
View File

@ -73,6 +73,19 @@ to model alloy systems by invoking the {eam/alloy} or {eam/fs} styles
as described below. These files require no mixing since they specify as described below. These files require no mixing since they specify
alloy interactions explicitly. alloy interactions explicitly.
There are several WWW sites that distribute and document EAM
potentials stored in either the original DYNAMO or other formats:
http://www.ctcms.nist.gov/potentials
http://cst-www.nrl.navy.mil/ccm6/ap
http://enpub.fulton.asu.edu/cms/potentials/main/main.htm :pre
These potentials should be usable with LAMMPS, though the alternate
formats would need to be converted to the DYNAMO format used by LAMMPS
and described on this page.
:line
For style {eam}, potential values are read from a file that is in the For style {eam}, potential values are read from a file that is in the
DYNAMO single-element {funcfl} format. If the DYNAMO file was created DYNAMO single-element {funcfl} format. If the DYNAMO file was created
by a Fortran program, it cannot have "D" values in it for exponents. by a Fortran program, it cannot have "D" values in it for exponents.
@ -348,17 +361,6 @@ the "Making LAMMPS"_Section_start.html#2_3 section for more info.
"pair_coeff"_pair_coeff.html "pair_coeff"_pair_coeff.html
Here are several WWW sites that discuss EAM potentials stored in
either the original DYNAMO or other formats:
http://www.ims.uconn.edu/centers/simul/pot
http://cst-www.nrl.navy.mil/ccm6/ap
http://enpub.fulton.asu.edu/cms/potentials/main/main.htm :pre
In principle, these potentials could be used with LAMMPS, though the
alternate formats would need to be converted to the DYNAMO format used
by LAMMPS and described above.
[Default:] none [Default:] none
:line :line