ChemApp light – The free version of ChemApp

With the release of ChemApp light we would like to give interested programmers the chance to get to know ChemApp at zero risk.

Simply download the version of ChemApp light suitable for you, plus the separate online documentation package, and you have all you need to start taking your first steps.

If you have any questions about ChemApp light, please check out the ChemApp FAQ, it contains answers to many common questions. If you don’t find the answers to your questions there, or if you have any suggestions regarding the distribution or the documentation, please contact our ticketing system for customer support.

  1: Download the online documentation.

This is a set of HTML files to be viewed with your WWW browser. Choose any of the package formats that is suitable to you:

  • calight-doc.tar.gz
    For Unix machines, when having gzip available.
    Install it with gzip -d calight-doc.tar.gz | tar xvf -
    For DOS and Windows machines in zip format. When unzipping, make sure you unzip it with path information (e.g. pkunzip -d under DOS), to create the subdirectories properly.
  • If you would like to take a look at the documentation before you download and install it, use this link: ChemApp light online docs.
  2: Choose which one of the available distributions is right for you.

By following the link below, you will

  • be asked which distribution you want,
  • be shown the license, and be asked to acknowledge it,
  • be presented with the page from which you download the distribution archive.

To choose your version of the library now, go to the ChemApp light download area.

3: Install the library and the documentation

After you’ve downloaded both the documentation and the object code archive, you should install both on your machine. When unpacking/unzipping the distribution archive, make sure you extract the files with path information, so the necessary subdirectories are properly created.

Next, read any README files that come with the object code distribution for any information relating to your version of ChemApp light. Have also a look at the ChemApp FAQ, if you haven’t done so already.

Then, load your WWW browser and access the ChemApp light online docs. Read through the first chapter, which describes what ChemApp light is about, and what you should know to be able to start using it.

For a first round in actually linking ChemApp to a program you compiled, use the cademo1 program which is part of your object code archive, and compare it to the reference output included. The online docs contain easy to browse version of these programs, using syntax highlighting and the output the program produces. This should make it easy to go through the program step by step.

The online docs contain several dozen more example codes, demonstrating every aspect of the use of ChemApp. Most of these programs are available in both C and FORTRAN.

The online docs also contains a chapter called “Worked Examples”, which gives several examples of how calculational issues are handled using ChemApp, each focussing on a different subject.

If you have a problem with ChemApp or think you encountered a bug, please use the ChemApp Bug Report Form.

If you have any questions, direct them to our ticketing system for customer support. We try to provide e-mail support for the light version of ChemApp too. To sign up for e-mail support, register your copy of ChemApp light with us. Registration is free and explained in the online docs.