DFTCXX

DFT calculations code

Author of the code: Ivo Filot

Homepage (contains a brief annotation): https://github.com/ifilot/dftcxx

Source code: https://github.com/ifilot/dftcxx

Description and use: DFTCXX enables DFT (LDA level) calculations with STO-3G, STO-6G, 3-21G and 6-31G basis sets.

Program status: The current package contains DFTCXX binaries of primary version compiled for the Android hardware platforms adapted for running in generic stock devices. The app requires permission to access the local files. It works offline and does not contain advertisment.

License: The original source code is published under GPL v.3 in the homepage. This distribution is published for free at Mobile Chemistry Portal and Google Play Store with kind permission of Ivo Filot. All the details concerning the licenses is available inside of the app.

Contact: Compilation of the source code for Android / Windows was done by Alan Liška ([email protected]) a Veronika Růžičková ([email protected]), J. Heyrovský Institute of Physical Chemistry of the CAS, v.v.i., Dolejškova 3/2155, 182 23 Praha 8, Czech Republic.

Web: http://www.jh-inst.cas.cz/~liska/MobileChemistry.htm