DoSPT
From DoSPT
Revision as of 13:47, 25 April 2017 by Miguel Caro (talk | contribs)
NEW (25/04/2017): A new tutorial is available exploring the computation of mixing entropies and how to run a DoSPT calculation with more of one component present. Tutorial 2: entropy of mixing of methanol+water.
Welcome to the DoSPT website. DoSPT is a code that allows you to compute entropies from molecular dynamics simulations. You can check out the first DoSPT paper to get a better idea of what's going on.
This site is currently under construction, as more materials are being added. At the moment you can download and install the code. A list of features and the documentation are still missing but will be added soon. An example calculation showcasing the basic capabilities of the code is available as a tutorial. More tutorials are coming up!
If you need further information while the website is undergoing quick changes, please directly contact Miguel Caro, who should be able to help you out.
