diff --git a/doc/reset_timestep.html b/doc/reset_timestep.html index 31bdc71630..0514441c53 100644 --- a/doc/reset_timestep.html +++ b/doc/reset_timestep.html @@ -45,14 +45,19 @@ write. See the undump command or fix -ave/spatial or fix -wall/lj126, and also fix -indent. The wall and indeter fixes allow for a -velocity or other time-dependent parameter to be specified, which -would be messed up by resetting the timestep. +

This command cannot be used when any fixes are defined that keeps +track of elapsed time to perform time-dependent operations. Examples +include the "ave" fixes such as fix +ave/spatial. Also fix +dt/reset and fix deposit. +

+

There are other fixes which use the current timestep which may produce +unexpected behavior, but LAMMPS allows them to be in place when +resetting the timestep. For example, commands which thermostat the +system, e.g. fix nvt, allow you to specify a target +temperature which ramps from Tstart to Tstop which may persist over +several runs. If you change the timestep, you may change the target +temperature.

Restting the timestep will clear the flags for computes that may have calculated some quantity from a previous run. This diff --git a/doc/reset_timestep.txt b/doc/reset_timestep.txt index 3da3655276..f8eb41cb13 100644 --- a/doc/reset_timestep.txt +++ b/doc/reset_timestep.txt @@ -42,14 +42,19 @@ write. See the "undump"_undump.html command or "restart if necessary. New specifications for dump and restart files can be given after the reset_timestep command is used. -This command cannot be used when any fixes are defined that keep track -of time or the timestep in order to perform time-dependent operations. -Examples include the "ave" or "wall" fixes such as "fix -ave/spatial"_fix_ave_spatial.html or "fix -wall/lj126"_fix_wall_lj126.html, and also "fix -indent"_fix_indent.html. The wall and indeter fixes allow for a -velocity or other time-dependent parameter to be specified, which -would be messed up by resetting the timestep. +This command cannot be used when any fixes are defined that keeps +track of elapsed time to perform time-dependent operations. Examples +include the "ave" fixes such as "fix +ave/spatial"_fix_ave_spatial.html. Also "fix +dt/reset"_fix_dt_reset.html and "fix deposit"_fix_deposity.html. + +There are other fixes which use the current timestep which may produce +unexpected behavior, but LAMMPS allows them to be in place when +resetting the timestep. For example, commands which thermostat the +system, e.g. "fix nvt"_fix_nvt.html, allow you to specify a target +temperature which ramps from Tstart to Tstop which may persist over +several runs. If you change the timestep, you may change the target +temperature. Restting the timestep will clear the flags for "computes"_compute.html that may have calculated some quantity from a previous run. This