From eae3431926f0e6ab48cc024ac4d35fee2d6cd4bd Mon Sep 17 00:00:00 2001 From: athomps Date: Fri, 14 Oct 2011 20:16:41 +0000 Subject: [PATCH] Added note about omega git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7091 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/pair_tersoff.html | 2 +- doc/pair_tersoff.txt | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/doc/pair_tersoff.html b/doc/pair_tersoff.html index 96f629494a..ecab9b3a4f 100644 --- a/doc/pair_tersoff.html +++ b/doc/pair_tersoff.html @@ -133,7 +133,7 @@ equivalent form for alloys, which we will refer to as Tersoff_2 potential (Tersoff_2).

LAMMPS parameter values for Tersoff_2 can be obtained as follows: -gamma = 1, just as for Tersoff_1, but now lambda3 = 0 and the value of +gamma_ijk = omega_ik, lambda3 = 0 and the value of m has no effect. The parameters for species i and j can be calculated using the Tersoff_2 mixing rules:

diff --git a/doc/pair_tersoff.txt b/doc/pair_tersoff.txt index 2f0f539e95..7150c06b91 100644 --- a/doc/pair_tersoff.txt +++ b/doc/pair_tersoff.txt @@ -129,7 +129,7 @@ equivalent form for alloys, which we will refer to as Tersoff_2 potential "(Tersoff_2)"_#Tersoff_2. LAMMPS parameter values for Tersoff_2 can be obtained as follows: -gamma = 1, just as for Tersoff_1, but now lambda3 = 0 and the value of +gamma_ijk = omega_ik, lambda3 = 0 and the value of m has no effect. The parameters for species i and j can be calculated using the Tersoff_2 mixing rules: