foeroyingur / CPMD

The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.

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The Code

The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.

Copyright Notice

The CPMD program is © 1990-2023 by IBM Corp. and © 1994-2001 by Max Planck Institute, Stuttgart.

License

The CPMD is freely distributed under the MIT License.

About

The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.

License:MIT License


Languages

Language:Fortran 97.6%Language:C++ 1.6%Language:Shell 0.4%Language:C 0.2%Language:Makefile 0.2%Language:Cuda 0.1%Language:Emacs Lisp 0.0%