From b14fb8d61069d3f1a73c602194207ba107a0b0ef Mon Sep 17 00:00:00 2001
From: athomps <athomps@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Mon, 4 Nov 2013 02:30:55 +0000
Subject: [PATCH] Qualified the GJF description

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10923 f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
 doc/fix_langevin.html | 10 ++++++----
 doc/fix_langevin.txt  | 10 ++++++----
 2 files changed, 12 insertions(+), 8 deletions(-)

diff --git a/doc/fix_langevin.html b/doc/fix_langevin.html
index eeedfd5f6d..7f5b7d5717 100644
--- a/doc/fix_langevin.html
+++ b/doc/fix_langevin.html
@@ -244,10 +244,12 @@ effective random force is composed of the average of two random forces
 representing half-contributions from the previous and current time
 intervals. This discretization has been shown to be consistent with
 the underlying physical model of Langevin dynamics and produces the
-correct statistical distribution of energy for large timesteps, up to
-the numerical stability limit. A typical simulation with flexible
-hydrogen-carbon covalent bonds can be run with a timestep of 3 fs,
-instead of 1 fs with the standard Langevin method.
+correct Boltzmann distribution of positions for large timesteps, 
+up to the numerical stability limit. Because the discretized momenta
+generated by the time integration scheme are not exactly conjugate 
+to the positions, the kinetic energy distribution is systematically 
+lower than the Boltzmann distribution by an amount that
+grows with the timestep.
 </P>
 <HR>
 
diff --git a/doc/fix_langevin.txt b/doc/fix_langevin.txt
index 817a157c2b..4218564a4c 100644
--- a/doc/fix_langevin.txt
+++ b/doc/fix_langevin.txt
@@ -232,10 +232,12 @@ effective random force is composed of the average of two random forces
 representing half-contributions from the previous and current time
 intervals. This discretization has been shown to be consistent with
 the underlying physical model of Langevin dynamics and produces the
-correct statistical distribution of energy for large timesteps, up to
-the numerical stability limit. A typical simulation with flexible
-hydrogen-carbon covalent bonds can be run with a timestep of 3 fs,
-instead of 1 fs with the standard Langevin method.
+correct Boltzmann distribution of positions for large timesteps, 
+up to the numerical stability limit. Because the discretized momenta
+generated by the time integration scheme are not exactly conjugate 
+to the positions, the kinetic energy distribution is systematically 
+lower than the Boltzmann distribution by an amount that
+grows with the timestep.
 
 :line
 
-- 
GitLab