git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13145 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2015-02-20 00:12:13 +00:00
parent 9db7e6449f
commit 7e06417ffe
2 changed files with 14 additions and 0 deletions

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@ -204,6 +204,13 @@ the coul/streitz pair style itself.
uses the Streitz-Mintmire potential. The potentials directory has the
AlO.eam.alloy and AlO.streitz potential files used by the example.
</P>
<P>Note that the Streiz-Mintmire potential is generally used for oxides,
but there is no conceptual problem with extending it to nitrides and
carbides (such as SiC, TiN). Pair coul/strietz used by itself or with
any other pair style such as EAM, MEAM, Tersoff, or LJ in
hybrid/overlay mode. To do this, you would need to provide a
Streitz-Mintmire parameterizaion for the material being modeled.
</P>
<HR>
<P>Styles <I>coul/long</I> and <I>coul/msm</I> compute the same Coulombic

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@ -178,6 +178,13 @@ See the examples/strietz directory for an example input script that
uses the Streitz-Mintmire potential. The potentials directory has the
AlO.eam.alloy and AlO.streitz potential files used by the example.
Note that the Streiz-Mintmire potential is generally used for oxides,
but there is no conceptual problem with extending it to nitrides and
carbides (such as SiC, TiN). Pair coul/strietz used by itself or with
any other pair style such as EAM, MEAM, Tersoff, or LJ in
hybrid/overlay mode. To do this, you would need to provide a
Streitz-Mintmire parameterizaion for the material being modeled.
:line
Styles {coul/long} and {coul/msm} compute the same Coulombic