From ee86bd2463f04cd354ba85f627f7a6df64c5b958 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Sat, 30 Jul 2016 14:45:26 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15399 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- examples/nb3b/MOH.nb3b.harmonic | 25 ++++++++++++++++++++++++- 1 file changed, 24 insertions(+), 1 deletion(-) diff --git a/examples/nb3b/MOH.nb3b.harmonic b/examples/nb3b/MOH.nb3b.harmonic index b304359335..9520767a4c 100644 --- a/examples/nb3b/MOH.nb3b.harmonic +++ b/examples/nb3b/MOH.nb3b.harmonic @@ -14,8 +14,31 @@ # (jik)-->determines k, theta_0 for i-j-k angle term # # ielem jelem kelem k theta_0 cutoff + O O O 0.00 0.00 0.00 + O O M 0.00 0.00 0.00 + O O H 0.00 0.00 0.00 O M M 0.00 0.00 2.80 - O H H 0.00 0.00 1.20 + O M O 0.00 0.00 0.00 O M H 6.35 120.00 0.00 + O H H 0.00 0.00 1.20 + O H O 0.00 0.00 0.00 O H M 6.35 120.00 0.00 + M M M 0.00 0.00 0.00 + M M H 0.00 0.00 0.00 + M M O 0.00 0.00 0.00 + M O O 0.00 0.00 2.80 + M O M 0.00 0.00 2.80 + M O H 6.35 120.00 0.00 + M H H 0.00 0.00 0.00 + M H M 0.00 0.00 0.00 + M H O 0.00 0.00 0.00 + H H H 0.00 0.00 0.00 + H H M 0.00 0.00 0.00 + H H O 0.00 0.00 0.00 + H O O 0.00 0.00 1.20 + H O H 0.00 0.00 1.20 + H O M 6.35 120.00 0.00 + H M M 0.00 0.00 0.00 + H M O 0.00 0.00 0.00 + H M H 0.00 0.00 0.00