I have been running with one block of atoms controlled by ‘fix move’, and the remainder controlled by ‘fix nve’
I found an issue with my dynamics. To test, I used ‘fix dt/reset’ to see if I could narrow down where my problem was.
However, the code stopped with “ERROR Resetting timestep is not allowed with fix move (…/fix_move.cpp 1013)”.
The doc page for ‘fix move’ notes that resetting the timestep after reading a restart file may give an odd behaviour, but no ‘restrictions’ are listed.
The error means that resetting the time step “size”
is not permitted, not the timestep itself. That is
b/c the various formulas used by fix move depend
on elapsed time from some time origin
and the motion may not be continuous
if the timestep size changes.
I accept the reasoning; I wanted to point out that whilst the page says ‘you may get garbage’, there is no mention that this will cause LAMMPS to stop with an ERROR.
What I meant was that the phrase “ http://lammps.sandia.gov/doc/fix_move.html
tells me that doing this will produce garbage. However, it does not say that “resetting the timestep with ‘fix dt/reset’ will cause LAMMPS to stop”.