Click the button below to download the latest version of the DataAnalysis package for Mathematica.
Currently v0.0.1, IPhreeqc v3.4.0-129727
The package requires a working installation of Wolfram Mathematica, version 11.1 or higher. Some features might work with earlier versions, but most functionality probably requires some tweaking to make them work in earlier versions.
If you want to use the SciDraw functionality for data plots, you have to install the free SciDraw package as well.
At the moment, the libraries necessary to run PHREEQC from Mathematica are only included for Windows (x86 and x64) systems. For other systems, you will have to compile your own version of this "PhreeqcMathematica" library using my C source files and place the library in the
bin/$SystemID folder of the package. To compile the library, you have to link IPhreeqc library, and compile the code as a WSTP program as explained in the Wolfram documentation (including pre-compilation of the PhreeqMathematica.tm template file).
The easiest way is to extract the .zip archive into the "Application" folder in the
$UserBaseDirectory of Mathematica. After starting up Mathematica, the package can be loaded using
You can also use the commands
?DataAnalysis`Phreeqc`* for a list of available functions and usage messages. Further documentation is available in the native Mathematica documentation center when searching for function names.
The DatAnalysis package is distributed under the GNU General Public License v3.0. This means that you may distribute this code or derivative work under the same terms.
The IPhreeqc library was used to enable the use of PHREEQC from Mathematica. The PHREEQC and IPhreeqc software is provided free of charge by the USGS and the distribution of derivative works (such as this package) is permitted by the authors.