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Re: [lammps-users] datafile format
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Re: [lammps-users] datafile format


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 9 Oct 2017 20:22:05 -0400



On Mon, Oct 9, 2017 at 8:17 PM, Diaz,Adrian <adriandiaz@...1437...47...> wrote:

Is there a more elegant way to input dozens of properties to a single atom style entity that doesn't require changing the parser or just having very long lines in the input file? I noticed changing the parser in read_data is what the body style ended up doing.

​how about writing a little python/perl/tcl/c/c++/fortran/java/lisp/whatever program, that takes whatever is a convenient ​input format for you and outputs a data file?

axel.


 


From: Axel Kohlmeyer <akohlmey@...24...>
Sent: Monday, October 9, 2017 6:02:22 PM
To: Diaz,Adrian
Cc: lammps-users@...396...sourceforge.net
Subject: Re: [lammps-users] datafile format
 


On Mon, Oct 9, 2017 at 1:56 AM, Diaz,Adrian <adriandiaz@...36.....1447...> wrote:

Greetings,

Is there a way to allow the declaration of an atom in the data file such that it takes up multiple lines?

​not without changes to the parser. since that one is already quite complex, i would recommend against it. 

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.



--
Dr. Axel Kohlmeyer  akohlmey@...92......  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.