JDFTx

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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License

GNU General Public License version 3.0 (GPLv3)

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Additional Project Details

Operating Systems

BSD, Cygwin, Linux

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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