ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Fixed extraneous paragraph in doc/src/fix_langevin.tct

Browse Source
This commit is contained in:
charlie sievers
2019-09-10 16:56:31 -07:00
parent e34b7840d5
commit 3df5321e00
1 changed files with 0 additions and 10 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
doc/src/fix_langevin.txt
View File

@ -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