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Re: [lammps-users] Results of time averaging in a variable?
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Re: [lammps-users] Results of time averaging in a variable?


From: Michał Kański <michal.kanski@...2460...>
Date: Mon, 6 Nov 2017 14:31:13 +0000

Have you tried something like:

"variable var equal f_ave"

where "ave" is an ID of fix ave/time?


Michal


From: Noam Bernstein <noam.bernstein@...4479...>
Sent: Monday, November 6, 2017 3:03:36 PM
To: lammps-users@lists.sourceforge.net
Subject: [lammps-users] Results of time averaging in a variable?
 
Hi - I’d like to run an equilibration NPT, take the average box shape, and then use it to run an NVE, in a single lammps input file.  Is there any way to get the results of the time averaged box shape (e.g. as computed by “fix ave/time”) in a variable, so I can use it in a change box command?  All I’ve been able to get from the documentation and searching the mailing list is how to write it to a file.

                                                        thanks,
                                                        Noam
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