What is CPMD ?
The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.
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 has been established in order 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).
In 2022, IBM made the CPMD code freely available on GitHub under the MIT License.
The CPMD program is © 1990-2023 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)