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

See All Activity >

Categories

Chemistry, Physics

License

GNU General Public License version 3.0 (GPLv3)

Follow JDFTx

JDFTx Web Site

Other Useful Business Software
Our Free Plans just got better! | Auth0 Icon
Our Free Plans just got better! | Auth0

With up to 25k MAUs and unlimited Okta connections, our Free Plan lets you focus on what you do best—building great apps.

You asked, we delivered! Auth0 is excited to expand our Free and Paid plans to include more options so you can focus on building, deploying, and scaling applications without having to worry about your security. Auth0 now, thank yourself later.
Try free now
Rate This Project
Login To Rate This Project

User Reviews

Be the first to post a review of JDFTx!

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
Report inappropriate content