From a0163ac9563149343e2a701cdae194be936bc26c Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 6 Jul 2015 16:34:33 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13529 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- examples/nb3b/MOH.nb3b.harmonic | 11 ++++++----- 1 file changed, 6 insertions(+), 5 deletions(-) diff --git a/examples/nb3b/MOH.nb3b.harmonic b/examples/nb3b/MOH.nb3b.harmonic index 4e39b2f635..b304359335 100644 --- a/examples/nb3b/MOH.nb3b.harmonic +++ b/examples/nb3b/MOH.nb3b.harmonic @@ -1,3 +1,4 @@ +# DATE: 2013-06-28 CONTRIBUTOR: Todd Zeitler, tzeitle@sandia.gov CITATION: none # nb3b/harmonic (nonbonded 3-body harmonic) parameters for various elements # # multiple entries can be added to this file, LAMMPS reads the ones it needs @@ -12,9 +13,9 @@ # (ijj)-->determines cutoff for i-j distance # (jik)-->determines k, theta_0 for i-j-k angle term # -# ielem jelem kelem k theta_0 cutoff - O M M 0.00 0.00 2.80 +# ielem jelem kelem k theta_0 cutoff + O M M 0.00 0.00 2.80 O H H 0.00 0.00 1.20 - O M H 6.35 120.00 0.00 - O H M 6.35 120.00 0.00 - + O M H 6.35 120.00 0.00 + O H M 6.35 120.00 0.00 +