From 7e06417ffeabae28be9c3a7acf73ddb882c020b5 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 20 Feb 2015 00:12:13 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13145 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/pair_coul.html | 7 +++++++ doc/pair_coul.txt | 7 +++++++ 2 files changed, 14 insertions(+) diff --git a/doc/pair_coul.html b/doc/pair_coul.html index 80fa983fec..4edb0835ba 100644 --- a/doc/pair_coul.html +++ b/doc/pair_coul.html @@ -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.

+

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. +

Styles coul/long and coul/msm compute the same Coulombic diff --git a/doc/pair_coul.txt b/doc/pair_coul.txt index f9372b52a2..bdae57bbae 100644 --- a/doc/pair_coul.txt +++ b/doc/pair_coul.txt @@ -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