JDFTx is a plane-wave density functional theory code designed for electronic structure theory development. One prominent unique capability is the treatment of solvated electronic systems using joint density functional theory. Please see http://jdftx.org for download and compile instructions, tutorials, documentation and citation information.

Features

  • Electronic DFT
  • Classical DFT
  • Solvation models
  • Wannier functions
  • Electron-phonon interactions
  • Hybrid MPI/pthreads parallelization
  • CUDA support for GPU acceleration

Project Activity

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Categories

Chemistry, Physics

License

GNU General Public License version 3.0 (GPLv3)

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Additional Project Details

Operating Systems

Cygwin, Linux, BSD

Intended Audience

Science/Research

User Interface

Command-line

Programming Language

C++

Related Categories

C++ Chemistry Software, C++ Physics Software

Registered

2012-02-12
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