OpenCPMD is a community of developers and users of the CPMD program that formed after the code was made freely available under the MIT license in 2022. Present members (in alphabetic order): Mauro Boero, Jógvan Magnus Haugaard Olsen, Takashi Ikeda, Emiliano Ippoliti, Tobias Klöffel, Davide Mandelli, Gerald Mathias, Bernd Meyer, Ari Paavo Seitsonen.
The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics (although it includes many more functionalities and methods).
The development of CPMD started in 1990 by a team of researchers at IBM Research Zurich. Between 1994 and 2001, the CPMD code was jointly developed between IBM and the Max Planck Institute. In 2001, a consortium was established to coordinate the development and distribution of the CPMD code. The consortium was a virtual organization that comprised all the users and developers of the CPMD code around the world. This organization was coordinated by Alessandro Curioni (IBM) and was founded by Prof. Michele Parrinello (USI) and Prof. Wanda Andreoni (EPFL and IBM Zurich Laboratory). Many members of the CPMD consortium (http://www.cpmd.org/) contributed to the code in its present form, mainly: Juerg Hutter, Mauro Boero, Alessandro Curioni, Mark Tuckerman, Ivano Tavernelli, Axel Kohlmeyer, Nisanth Nair, Ari Paavo Seitsonen, Wolfram Quester, Dominik Marx, Valery Weber, Teodoro Laino, Takashi Ikeda, Ali Alavi, Michiel Sprik, Jochen Blumberger.
In 2022, IBM made the CPMD code freely available on GitHub under the MIT License.
The CPMD program is © 1990-2022 by IBM Corp. and © 1994-2001 by Max Planck Institute, Stuttgart.
- CPMD: main CPMD code (MIT License)
- Addons: Additional packages part of the CPMD distribution (MIT License)
- Tests: collection of input test files with production defaults (MIT License)
- Regtests: regression tests for the quality control/assurance of CPMD (MIT License). Requires the download of the CPQA package.
- cpqa: quality assurance code originally developed for CP2K and customized for CPMD (GPL v.3)
- Pseudopotentials Extended Library: Avaliable tested pseudopotentials (M. Boero)
- GTH pseudopotentials: Available GTH pseudopotentials (M. Boero)
- Quick Tutorial: A quick tutorial about input and output files of CPMD.