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https://github.com/reaktoro/reaktoro
a unified framework for modeling chemically reactive systems
https://github.com/reaktoro/reaktoro
chemical-equilibrium chemical-kinetics chemical-reactions geochemical geochemical-modeling reactive-transport
Last synced: about 2 months ago
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a unified framework for modeling chemically reactive systems
- Host: GitHub
- URL: https://github.com/reaktoro/reaktoro
- Owner: reaktoro
- License: lgpl-2.1
- Created: 2017-03-20T12:13:53.000Z (over 7 years ago)
- Default Branch: main
- Last Pushed: 2024-03-01T15:01:25.000Z (4 months ago)
- Last Synced: 2024-03-18T10:07:25.642Z (3 months ago)
- Topics: chemical-equilibrium, chemical-kinetics, chemical-reactions, geochemical, geochemical-modeling, reactive-transport
- Language: C++
- Homepage: https://reaktoro.org
- Size: 63.5 MB
- Stars: 143
- Watchers: 13
- Forks: 50
- Open Issues: 28
-
Metadata Files:
- Readme: README.md
- License: LICENSE
Lists
- awesome-cpp - Reaktoro - A computational framework in C++ and Python for modeling chemically reactive systems. [LGPL] [website](https://reaktoro.org) (Chemistry)
- awesome-cpp-cn - Reaktoro
- awesome-cpp - Reaktoro - A computational framework in C++ and Python for modeling chemically reactive systems. [LGPL] [website](https://reaktoro.org) (Chemistry)
- awesome-cpp-completed - Reaktoro - A computational framework in C++ and Python for modeling chemically reactive systems. [LGPL] [website](https://reaktoro.org) (Chemistry)
- awesome-cpp - Reaktoro - A computational framework in C++ and Python for modeling chemically reactive systems. [LGPL] [website](https://reaktoro.org) (Chemistry)
- fucking-awesome-cpp - Reaktoro - A computational framework in C++ and Python for modeling chemically reactive systems. [LGPL] 🌎 [website](reaktoro.org) (Chemistry)
- awesome-cpp - Reaktoro - A computational framework in C++ and Python for modeling chemically reactive systems. [LGPL] [website](https://reaktoro.org) (Chemistry)
- awesome-cpp - Reaktoro - A computational framework in C++ and Python for modeling chemically reactive systems. [LGPL] [website](https://reaktoro.org) (Chemistry)
- awesome-cpp-completed - Reaktoro - A computational framework in C++ and Python for modeling chemically reactive systems. [LGPL] [website](https://reaktoro.org) (Chemistry)
- awesome-cpp - Reaktoro - A computational framework in C++ and Python for modeling chemically reactive systems. [LGPL] [website](https://reaktoro.org) (Chemistry)
- awesome-cpp - Reaktoro - A computational framework in C++ and Python for modeling chemically reactive systems. [LGPL] [website](https://reaktoro.org) (Chemistry)
README
# Introduction
Reaktoro is a unified framework for modeling chemically reactive systems.
Below are some features and modeling capabilities of Reaktoro:
* support to several thermochemical databases;
* PHREEQC
* SUPCRT
* SUPCRTBL
* NASA
* ThermoFun
* support to chemical equilibrium and kinetics calculations with general constraints;
* efficient numerical algorithms implemented using modern programming techniques;
* the chemical systems can contain any number of phases;
* no limitations on the number of chemical species in each phase;
* use of automatic differentiation for computation of derivatives with respect to virtually any variable or parameter.
For more information on how to install and use Reaktoro, you should go to [Reaktoro's website](https://www.reaktoro.org).
> This README file is intentionally kept succinct in preference to the website's content.
## License
LGPL v2.1
Copyright © 2014-2022 Allan Leal
Reaktoro is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License as published by
the Free Software Foundation; either version 2.1 of the License, or (at
your option) any later version.
Reaktoro is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public
License for more details.