capDFT

The capdft project provides a C++ library and several applications to perform calculations in the framework of classical density functional theory.

The project started in 2008 with a research project by Andreas Härtel in the context of a Diploma thesis.

Further details will be found on capdft.org soon.

Install

First, check that the required libraries are installed:

1. GNU Scientific Library, e.g. gsl-devel
2. FFTW3, e.g. fftw3-devel

To download and install the project, you need to clone the project from github and to run make init and make:

git clone https://github.com/andreashaertel/capdft.git
cd capdft/
make init
make

To make the documentation, you need to run make in the doc/ subfolder:

cd doc/
make

See doc/html/index.html for further details.

Examples

Examples are given in the examples directory.

Maintainers

• Andreas Härtel - [email protected]
• Moritz Bültmann - [email protected]

Contribute

Any pull requests or suggestions are welcome at https://github.com/andreashaertel/capdft or via e-mail to one of the maintainers.

License

This work is licensed under multiple licences. Because keeping this section up-to-date is challenging, here is a brief summary as of May 2021:

• All original source code is licensed under either LGPL-3.0-or-later or GPL-3.0-or-later.
• All documentation is licensed under CC-BY-SA-4.0.
• Some configuration and data files are licensed under CC0-1.0.
• Some code borrowed from [anno1982/parameter...](https://github.com/... !!PARAMETER FILE READER) is licensed under LGPL-3.0-or-later.

For more accurate information, check the individual files.