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

reflect changes to fix langevin also in the manual

Browse Source
This commit is contained in:
Axel Kohlmeyer
2019-02-14 05:45:52 -05:00
parent 8020f5b965
commit d0ed6f2bf5
2 changed files with 0 additions and 10 deletions
Download Patch File Download Diff File Expand all files Collapse all files

6
doc/src/Errors_warnings.txt
View File

@ -178,12 +178,6 @@ When using fixes like box/relax, the potential energy used by the minimizer
is augmented by an additional energy provided by the fix. Thus the printed is augmented by an additional energy provided by the fix. Thus the printed
converged energy may be different from the total potential energy. :dd converged energy may be different from the total potential energy. :dd
{Energy tally does not account for 'zero yes'} :dt
The energy removed by using the 'zero yes' flag is not accounted
for in the energy tally and thus energy conservation cannot be
monitored in this case. :dd
{Estimated error in splitting of dispersion coeffs is %g} :dt {Estimated error in splitting of dispersion coeffs is %g} :dt
Error is greater than 0.0001 percent. :dd Error is greater than 0.0001 percent. :dd

4
doc/src/fix_langevin.txt
View File

@ -217,10 +217,6 @@ the particles. As described below, this energy can then be printed
out or added to the potential energy of the system to monitor energy out or added to the potential energy of the system to monitor energy
conservation. conservation.
NOTE: this accumulated energy does NOT include kinetic energy removed
by the {zero} flag. LAMMPS will print a warning when both options are
active.
The keyword {zero} can be used to eliminate drift due to the The keyword {zero} can be used to eliminate drift due to the
thermostat. Because the random forces on different atoms are thermostat. Because the random forces on different atoms are
independent, they do not sum exactly to zero. As a result, this fix independent, they do not sum exactly to zero. As a result, this fix