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Re: [lammps-users] Fix after read_restart
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Re: [lammps-users] Fix after read_restart


From: Wes Barnett <w.barnett@...668...>
Date: Thu, 19 Oct 2017 14:05:38 -0400


On Thu, Oct 19, 2017 at 1:09 PM, Carter Rhea <crhea@...7157...> wrote:
Hello all,
 I am applying a fix to a calculation after reading in a previous simulation.
 In the documentation for fix it notes that the fix will be reapplied with new parameters once the command is issued. However, I have a number of print statements in my fix command and when I run my ensemble program (which involves an initial setup and then subsequent runs from which the previous run's data is read in) the print statements only come up the first run (so the one before the read_restart command).

I'm rather perplexed by this and I've double checked everything I could think of....
Any tips?




A simplified input script and example output vs. what you expect would be helpful.



--
James "Wes" Barnett
Postdoctoral Research Scientist
Department of Chemical Engineering