From 9b15f4e2dc4efb25730aff73e0d7ec453070e56c Mon Sep 17 00:00:00 2001 From: charlie sievers Date: Tue, 8 Oct 2019 12:47:30 -0700 Subject: [PATCH] Added the change to langevin gjf documentation --- doc/src/fix_langevin.txt | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/doc/src/fix_langevin.txt b/doc/src/fix_langevin.txt index 07d8b274aa..49ecf96ff6 100644 --- a/doc/src/fix_langevin.txt +++ b/doc/src/fix_langevin.txt @@ -246,11 +246,11 @@ velocity given in "Gronbech-Jensen/Farago"_#Gronbech-Jensen; this velocity is shown to be systematically lower than the target temperature by a small amount, which grows quadratically with the timestep. The {gjf} option {vhalf} outputs the 2GJ half-step velocity given in -"Gronbech Jensen/Gronbech-Jensen"_#2Gronbech-Jensen; this velocity is shown -to not have any linear statistical errors for any stable time step. +"Gronbech Jensen/Gronbech-Jensen"_#2Gronbech-Jensen; for linear systems, +this velocity is shown to not have any statistical errors for any stable time step. An overview of statistically correct Boltzmann and Maxwell-Boltzmann sampling of true on-site and true half-step velocities is given in -"Gronbech-Jensen_#1Gronbech-Jensen. +"Gronbech-Jensen"_#1Gronbech-Jensen. Regardless of the choice of output velocity, the sampling of the configurational distribution of atom positions is the same, and linearly consistent with the target temperature.