From 48b2274786f347b20ec1c08bc30f22c9bf21e26c Mon Sep 17 00:00:00 2001 From: sjplimp Date: Mon, 17 Nov 2014 18:36:20 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12699 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/neb.html | 6 +++--- doc/neb.txt | 6 +++--- 2 files changed, 6 insertions(+), 6 deletions(-) diff --git a/doc/neb.html b/doc/neb.html index 577b6198d0..ae2fe0cdbf 100644 --- a/doc/neb.html +++ b/doc/neb.html @@ -283,9 +283,9 @@ for the NEB procedure.

The damped dynamics minimizers, such as quickmin and fire), adjust the position and velocity of the atoms via an Euler integration step. Thus you must define an appropriate -timestep to use with NEB. Using the same timestep -that would be used for a dynamics run of your system is -advised. +timestep to use with NEB. As mentioned above, NEB +will often converge more quickly if you use a timestep about 10x +larger than you would normally use for dynamics simulations.


diff --git a/doc/neb.txt b/doc/neb.txt index abe2454be5..cd1b959aa4 100644 --- a/doc/neb.txt +++ b/doc/neb.txt @@ -273,9 +273,9 @@ for the NEB procedure. The damped dynamics "minimizers"_min_style.html, such as {quickmin} and {fire}), adjust the position and velocity of the atoms via an Euler integration step. Thus you must define an appropriate -"timestep"_timestep.html to use with NEB. Using the same timestep -that would be used for a dynamics "run"_run.html of your system is -advised. +"timestep"_timestep.html to use with NEB. As mentioned above, NEB +will often converge more quickly if you use a timestep about 10x +larger than you would normally use for dynamics simulations. :line