From 0264edfcec4340bad9ccd8a70e17448e58204c74 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 16 Nov 2018 16:27:47 -0500 Subject: [PATCH] provide example for how to set Tdamp correctly to 100 timesteps for all choices of unit --- doc/src/fix_nh.txt | 7 ++++++- 1 file changed, 6 insertions(+), 1 deletion(-) diff --git a/doc/src/fix_nh.txt b/doc/src/fix_nh.txt index 644ced4bdc..1ff80f5b7a 100644 --- a/doc/src/fix_nh.txt +++ b/doc/src/fix_nh.txt @@ -123,7 +123,12 @@ of {Tdamp}. If {Tdamp} is too small, the temperature can fluctuate wildly; if it is too large, the temperature will take a very long time to equilibrate. A good choice for many models is a {Tdamp} of around 100 timesteps. Note that this is NOT the same as 100 time units for -most "units"_units.html settings. +most "units"_units.html settings. A simple way to ensure this, is +via using an "immediate variable"_variable.html expression accessing +the thermo property 'dt', which is the length of the time step. Example: + +fix 1 all nvt temp 300.0 300.0 $(100.0*dt) :pre + :line