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Re: [lammps-users] Use "read_dump" multiple times
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Re: [lammps-users] Use "read_dump" multiple times


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Fri, 27 Apr 2018 12:48:06 -0400

On Fri, Apr 27, 2018 at 12:37 PM, Yidong Xia <yidongxia@...24...> wrote:
> Did anyone use "read_dump" multiple times to read a number of LAMMPS dump
> files where each file contain one snapshot?
>
> Recently I found that only the 1st "read_dump" added atoms into the system;
> the rest of "read_dump" did not add atoms even though I used "add yes"
> keyword. I've pasted one example here
>
>
> region          box block ${xlo} ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
> create_box      3 box
>
> read_dump       out.100.dump  100 x y z box no add yes
> read_dump       out.500.dump  500 x y z box no add yes
> ...
>
> Another situation is, if I have "read_data" before "read_dump" at first,
> then none of the "read_dump" could actually add atoms in the system
>
> # the simulation box is already large enough to include all atoms in dump
> files
>
> read_data       LAMMPS_data1.dat
> read_data       LAMMPS_data2.dat add append
>
> read_dump       out.100.dump  100 x y z box no add yes
> read_dump       out.500.dump  500 x y z box no add yes
>
> I
> wonder if my setup is not right? Thanks for any feedback

no, you simply didn't read the documentation careful enough.

with the add yes keyword included indeed new atoms are added, but
*only* if their atom id is different from one that already exists.
otherwise it will simply overwrite the the read in parameters, which
is exactly what it should be doing.

axel.


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-- 
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.