[lammps-users] about how to create the data file

I am a graduate student in china. now I have two question to ask you.
1.how to create the data.* file in lammps, with other tools ?
2.for example, in the atoms item ,what is the number in the second rank mean?
Atoms
1 139 2 0.000 0.000 0.000
2 0 1 1.195 0.000 0.000
3 0 1 2.390 0.000 0.000
4 0 1 3.586 0.000 0.000
5 0 1 4.781 0.000 0.000
6 0 1 5.976 0.000 0.000
7 0 1 7.171 0.000 0.000
8 0 1 8.367 0.000 0.000
I’m expecting your answer, thank you

在2007-02-10,[email protected] 写道:

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Today's Topics:

   1. Wich command serves to connect two strings to form a	new
      string? (Xiang Gu (PHY))
   2. S(q)? (Robert Hoy)

----------------------------------------------------------------------

Message: 1
Date: Thu, 8 Feb 2007 20:13:29 -0500 (EST)
From: "Xiang Gu (PHY)" <[email protected]>
Subject: [lammps-users] Wich command serves to connect two strings to
	form a	new string?
To: [email protected]
Message-ID: <[email protected]>
Content-Type: TEXT/PLAIN; charset=US-ASCII; format=flowed

Dear Steve, thanks a lot for your reply. Here is a new question. In 
simulation people may like to divide the entire system into many 
subregions and study the thermal quantities inside them. In Lammps a good 
choice may be to use the region or group command to define them with ID 
like "region1", "region2", ..., if there are dozens or hundreds or more of 
such subregions, it's a heavy work to define each with a region or 
group command. I think we can use variable+loop function to do it; the 
problem is, I checked for long time and by far was not able to find any 
command does this: connect "region" and "X" to form "regionX" (X, say, 
extends from 1 to 200).

Could you tell me which command can do this? Or I should take some other 
way to do this?

Thanks.

Xiang Gu

------------------------------

Message: 2
Date: Thu, 8 Feb 2007 20:37:24 -0500
From: Robert Hoy <[email protected]>
Subject: [lammps-users] S(q)?
To: [email protected]
Message-ID: <[email protected]>
Content-Type: text/plain; charset=US-ASCII; delsp=yes; format=flowed

Does LAMMPS have any ability to calculate the structure factor S(q)?   
I know it is just the Fourier transform of g(r), which LAMMPS does  
calculate.  If not, does anyone on the list happen to have a  
postprocessing code which calculates S(q)?

Thanks,
Rob

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礼!

herofather

Please carefully read the following pages:

http://lammps.sandia.gov/doc/read_data.html
http://lammps.sandia.gov/non_features.html

Hopefully this helps!

Paul