From 3df5321e0045dfd934a5c1dedf4d5c54b1845b42 Mon Sep 17 00:00:00 2001 From: charlie sievers Date: Tue, 10 Sep 2019 16:56:31 -0700 Subject: [PATCH] Fixed extraneous paragraph in doc/src/fix_langevin.tct --- doc/src/fix_langevin.txt | 10 ---------- 1 file changed, 10 deletions(-) diff --git a/doc/src/fix_langevin.txt b/doc/src/fix_langevin.txt index 1e50b3a8ba..c681b315f1 100644 --- a/doc/src/fix_langevin.txt +++ b/doc/src/fix_langevin.txt @@ -263,16 +263,6 @@ The 2GJ half-step velocity {vhalf} samples the correct velocity distribution for Results of simulations using the {gjf} option with both {vfull} and {vhalf} compared to other available thermostats are shown in the LAMMPS directory: examples/gjf. -As an example of why to use the {gjf} keyword, for molecules containing C-H -bonds, configurational properties generated with dt = 2.5 fs and tdamp -= 100 fs are indistinguishable from dt = 0.5 fs. Because the velocity -distribution systematically decreases with increasing timestep, the -method should not be used to generate properties that depend on the -velocity distribution, such as the velocity auto-correlation function -(VACF). In this example, the velocity distribution at dt = 2.5fs -generates an average temperature of 220 K, instead of 300 K. - - :line Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are