The pinball code is an open-source modification of the Quantum ESPRESSO package v.5.0.2 for fast frozen-charge molecular dynamics simulations.
This code is a modification of Quantum ESPRESSO, licensed under GNU GPL, refer to espresso-5.2.0/License for details.
- Refer to the installation guidelines in espresso-5.2.0/README
The theory and implementation of the pinball model are described in the following publication, we would appreciate citing us if you use this work.
Kahle, Marcolongo, Marzari, Physical Review Materials 2, 065405 (2018)
The pinball code was implemented by:
- Leonid Kahle
- Aris Marcolongo
under the guidance of Nicola Marzari at the Theory and Simulations of Materials Lab ( http://theossrv1.epfl.ch ) at EPFL.
If you have questions about the code or want to report bugs, please submit an issue on https://github.com/lekah/pinball/issues. For any more private questions, you can write to leonidkahle[at]gmail[dot]com, including the word 'pinball' in the subject line.