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：
Send lammps-users mailing list submissions to [email protected] To subscribe or unsubscribe via the World Wide Web, visit https://lists.sourceforge.net/lists/listinfo/lammps-users or, via email, send a message with subject or body 'help' to [email protected] You can reach the person managing the list at [email protected] When replying, please edit your Subject line so it is more specific than "Re: Contents of lammps-users digest..." 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 ------------------------------ ------------------------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier. Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 ------------------------------ _______________________________________________ lammps-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/lammps-users End of lammps-users Digest, Vol 9, Issue 8 ******************************************
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