Difference between revisions of "DoSPT"
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| + | '''NEW''' (03/01/2017): Check out the [http://aip.scitation.org/doi/abs/10.1063/1.4973001 first DoSPT paper], which just appeared on Journal of Chemical Physics as Open Access. In this paper we explore the computation of entropy of mixing for different liquid mixtures, highlighting the capabilities of DoSPT. | ||
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[[File:Dospt.png|thumb|Fortran implementation of the 2PT method]] | [[File:Dospt.png|thumb|Fortran implementation of the 2PT method]] | ||
Revision as of 18:50, 3 January 2017
NEW (03/01/2017): Check out the first DoSPT paper, which just appeared on Journal of Chemical Physics as Open Access. In this paper we explore the computation of entropy of mixing for different liquid mixtures, highlighting the capabilities of DoSPT.
Welcome to the DoSPT website. DoSPT is a code that allows you to compute entropies from molecular dynamics simulations.
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.
