From 1d39d319af6a15e03fa6e460cc5497657a991428 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 22 Oct 2010 21:24:52 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5098 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- examples/micelle/in.micelle | 2 +- examples/neb/in.neb.hop1 | 1 + examples/neb/in.neb.hop2 | 1 + 3 files changed, 3 insertions(+), 1 deletion(-) diff --git a/examples/micelle/in.micelle b/examples/micelle/in.micelle index cb1226f0ea..33cda8df93 100644 --- a/examples/micelle/in.micelle +++ b/examples/micelle/in.micelle @@ -20,7 +20,7 @@ bond_coeff 1 50.0 0.75 velocity all create 0.45 2349852 -variable prefactor equal 1.0+elapsed*(20.0-1.0)/1000 +variable prefactor equal ramp(1.0,20.0) fix 1 all nve fix 2 all temp/rescale 100 0.45 0.45 0.02 1.0 diff --git a/examples/neb/in.neb.hop1 b/examples/neb/in.neb.hop1 index ca1a67ae8b..e7f0e96e27 100644 --- a/examples/neb/in.neb.hop1 +++ b/examples/neb/in.neb.hop1 @@ -23,6 +23,7 @@ mass * 1.0 pair_style lj/cut 2.5 pair_coeff * * 1.0 1.0 2.5 +pair_modify shift yes # initial minimization to relax surface diff --git a/examples/neb/in.neb.hop2 b/examples/neb/in.neb.hop2 index cd961827b0..4211299b6c 100644 --- a/examples/neb/in.neb.hop2 +++ b/examples/neb/in.neb.hop2 @@ -25,6 +25,7 @@ mass * 1.0 pair_style lj/cut 2.5 pair_coeff * * 1.0 1.0 2.5 +pair_modify shift yes # initial minimization to relax surface