restarting fix integrate npt

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1

Hi - I’m doing a longish run, with two stages - a constant T hold, then a quench to lower T. The job was killed in the middle of the quench. Is there a clean way of restarting (I have restart and dump files) that preserves how far along the quench the previous run was, without me having to massage
  fix integrate all npt temp \{t\_ext\_i\} {t_ext_i} 0.1
the initial and final Ts and the number of time steps by hand?

              thanks,
              Noam

2

Hi - I’m doing a longish run, with two stages - a constant T hold, then a
quench to lower T. The job was killed in the middle of the quench. Is
there a clean way of restarting (I have restart and dump files) that
preserves how far along the quench the previous run was, without me having
to massage
        fix integrate all npt temp \{t\_ext\_i\} {t_ext_i} 0.1
the initial and final Ts and the number of time steps by hand?

http://lammps.sandia.gov/doc/run.html

​please check out the options start, stop and upto.

axel.​

3

Great - thanks.

Noam