On-Line Computation in Statistical Mechanics

Physical Chemistry, Lund University

Information about On-line computation in statistical mechanics

Background

This web site has arisen from a need to access different statistical-mechanical software from a uniform platform, in particular for educational purposes. The programs are located on a server and the computation is performed on the server as well. The preparation of input files for computation is performed on your local computer, and the input files are uploaded to the server before computation. After the computation, xy-plots can be made interactively for a quick survey and output and list files can be downloaded for further analysis. All access is made through a standard browser.

How to use the web site

  • From the home page of the site, you can select (i) this information or (ii) the home page of a particular software.
  • From the home page of a particular software, you can (i) select further information about that software, (ii) download manual, (iii) download sample input files, or (iv) start a computation.
  • A computation involves: (i) uploading of input file, (ii) execution, and (iii) examination of the result by downloading output and list files or through interactively making xy-plots of important quantities.
  • Some further comments

  • The use of all results is on your own responsibility; bear in mind that an acquaintance with the underlying theory is required to use of these programs.
  • The values of all input variables are assigned in the input file, and the content of the input file solely controls the computation.
  • A description of the namelist convention used and the meaning of all input variables are given in the manuals.
  • The preparation of input files is facilitated by downloading a sample input file and there making appropriate changes.
  • The amount of data accessible for xy-plots is controlled by input variables.
  • The way of using the different programs is identical, and their input files are organized in the same way.
  • All computation is performed on the same server.

  • Return to On-line computation in statistical mechanics home page.



    Web site developed by Leif and Per Linse
    Updated: 2015-06-07 Contact: per.linse@fkem1.lu.se