Numerical kernel solver of the GEM-Selektor v.3 package for geochemical modelling. Just extended with an alternative Activity C++ API as the basis for a new Python API (based on Pybind11) on top of it, see xGEMS repository.
Briefly about GEMS3K
- Implements the improved GEM IPM-3 algorithm with excellent mass balance precision and fast convergence to Gibbs energy minimum even in very complex non-ideal chemical systems with two-sided metastability constraints (learn more on GEMS3K web page).
- Written in C/C++. Using compiler directives, the GEMS3K code can be compiled as a standalone program e.g. 'gemcalc'; as a static or dynamic library for coupling with the mass transport simulator or another code; or as part of the GEM-Selektor v3 code together with GUI and databases.
- Version: currently 3.4.1.
- Distributed as is (no liability) under the terms of Lesser GPL v.3 license.
How to clone (download) GEMS3K source code
- In your home directory, make a folder named e.g. ~/gitGEMS3 with a subfolder gitGEMS3/standalone.
- Change into ~/gitGEMS3/standalone and clone this repository from https://bitbucket.org/gems4/gems3k.git using a preinstalled free git client SourceTree or SmartGit (the best way on Windows).
- Alternatively on Mac OS X or linux, open a terminal and type in the command line (do not forget a period):
git clone https://bitbucket.org/gems4/gems3k.git .
- To switch to another branch (e.g. devEJDB), use a git client or open a terminal, cd to ~/gitGEMS3/standalone, and type in the command line
git checkout -b branches/devEJDB --track origin/branches/devEJDB git pull origin branches/devEJDB
To switch back to trunk, type
git checkout trunk
How to build GEMS3K library and examples
For details on how to build the GEMS3K chemical solver library and examples, please consult this web page:
TBD Summary of set up Configuration Dependencies Database configuration How to run tests Deployment instructions
- Writing tests
- Code review
- Other guidelines