From b58c43a5ec151daf2b694206aa6b97fc5ff02cba Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 30 Jun 2009 22:51:36 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2933 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/fix_viscous.html | 9 +++++++-- doc/fix_viscous.txt | 9 +++++++-- 2 files changed, 14 insertions(+), 4 deletions(-) diff --git a/doc/fix_viscous.html b/doc/fix_viscous.html index bb29f6ec52..e52fa4c056 100644 --- a/doc/fix_viscous.html +++ b/doc/fix_viscous.html @@ -57,6 +57,11 @@ optional keyword scale is used, gamma can scaled up or down by the specified factor for atoms of that type. It can be used multiple times to adjust gamma for several atom types.

+

IMPORTANT NOTE: You should specify gamma in force/velocity units. +This is not the same as mass/time units, at least for some of the +LAMMPS units options like "real" or "metal" that are not +self-consistent. +

In a Brownian dynamics context, gamma = kT / D, where k = Boltzmann's constant, T = temperature, and D = particle diffusion coefficient. D can be written as kT / (3 pi eta d), where eta = dynamic viscosity of @@ -76,8 +81,8 @@ viscous damping term as fix viscous and adds a random force to each atom. Hence if using fix langevin you do not typically need to use fix viscous. Also note that the gamma of fix viscous is related to the damping parameter of fix langevin, except that -the units of gamma are force/velocity (or mass/time) and the units of -damp are time, so that it can more easily be used as a thermostat. +the units of gamma are force/velocity and the units of damp are time, +so that it can more easily be used as a thermostat.

Restart, fix_modify, output, run start/stop, minimize info:

diff --git a/doc/fix_viscous.txt b/doc/fix_viscous.txt index f2cf5aa467..31f6f2a591 100644 --- a/doc/fix_viscous.txt +++ b/doc/fix_viscous.txt @@ -47,6 +47,11 @@ optional keyword {scale} is used, gamma can scaled up or down by the specified factor for atoms of that type. It can be used multiple times to adjust gamma for several atom types. +IMPORTANT NOTE: You should specify gamma in force/velocity units. +This is not the same as mass/time units, at least for some of the +LAMMPS "units"_units.html options like "real" or "metal" that are not +self-consistent. + In a Brownian dynamics context, gamma = kT / D, where k = Boltzmann's constant, T = temperature, and D = particle diffusion coefficient. D can be written as kT / (3 pi eta d), where eta = dynamic viscosity of @@ -66,8 +71,8 @@ viscous damping term as fix viscous and adds a random force to each atom. Hence if using fix {langevin} you do not typically need to use fix {viscous}. Also note that the gamma of fix viscous is related to the damping parameter of "fix langevin"_fix_langevin.html, except that -the units of gamma are force/velocity (or mass/time) and the units of -damp are time, so that it can more easily be used as a thermostat. +the units of gamma are force/velocity and the units of damp are time, +so that it can more easily be used as a thermostat. [Restart, fix_modify, output, run start/stop, minimize info:]