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

License

The present OpenCPMD version, forked from the original CPMD, is freely distributed under the MIT License.

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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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  • Fortran 97.6%
  • C++ 1.3%
  • Shell 0.4%
  • Assembly 0.2%
  • C 0.2%
  • Makefile 0.2%
  • Other 0.1%