readme

来自「一个很好的分子动力学程序」· 代码 · 共 73 行

June 24, 1999

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XMD
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What does it do?
   XMD performs molecular dynamics simulations on metals and ceramics.


What else do I need?
   You may need a potential file if using EAM or pair potentials.
   If you are using Tersoff's Carbon-Silicon potential or
   Stillinger-Weber's Carbon potential then you don't need a potential 
   file.


What do I do with the results?
   You can output results in special format files which can
   be re-read by XMD or companion utilities, or you can
   write output in standard text files to be read by other
   programs.


What companion utiltiies are there?
   See the web site   http://www.ims.uconn.edu/centers/simul/.
   Or perhaps you'd like to write your own?  If so, you are
   welcome to contribute your code to our Web site for public
   access.  You can contact me at the address below.


How do I write programs to read XMD special format files?
   Either (1) help read the source code for the module
   cdcor.c for the format of COR files or (2) contact me.


Where can I get more info?
   http://www.ims.uconn.edu/centers/simul/


What is the license for XMD?
   At present there is no license, ie it is public domain.
   GPL is under consideration.  Your suggestions about this 
   are welcome.


How do I compile it?
   See README.compile.


How do add code to the program?
   That would be great.  Try reading the user documentation.
   Also, README.source has a short description of modules
   which might get you started.  Also, feel free to contact
   me.


Where can I get the program?
   See http://www.ims.uconn.edu/center/simul/
   

How is the distribution directories organized?
   src/ contains the source code.  Compile from there.
   doc/ has the documentation in original .sgml format
        as well as html, ps and dvi.
   examples/  Contain example .xm files


Jon Rifkin
University of Connecticut
[e-mail]