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Interface between Openfermion and Dirac to perform relativistic quantum chemistry calculations simulated on a quantum computer
Jupyter Notebook Python Fortran
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examples Added the conserving symmetry from Bravyi Kitaev in the tutorial. May 22, 2019
tutorial Corrected the tutorial --> wrong directory allocation. Jul 16, 2019
utils Bugfix of wrong calculations of number of protons (and electrons) by … Apr 1, 2019
LICENSE Create LICENSE Jan 15, 2019 Added NUMOD option, MANUAL option, and made lot of corrections. Jan 14, 2019 Added the calculation of properties in Openfermion-Dirac. Feb 22, 2019

Dirac interfaced with Openfermion


  • Dirac
  • Openfermion
  • all requirements for the aforementioned programs.




INSTALL Openfermion-Dirac interface:

Clone the complete repository:

$ git clone

Build the code:

$ cd /path/to/Openfermion-Dirac/
$ pip install -e .
$ cd utils/
$ gfortran dirac_openfermion_mointegral_export.F90 -o dirac_openfermion_mointegral_export.x

In /path/to/Openfermion-Dirac/openfermion_dirac/ change the following :

  • Set your own path to pam (pam is the run_script of the Dirac program), which is called in the subprocess, or set directly the /path/to/dirac/build/pam to your bash_profile.
  • Same for dirac_openfermion_mointegral_export.x which is in /path/to/Openfermion-Dirac/utils/, either set your own path to it in the subprocess in, or set the path to your bash_profile. (Note that dirac_openfermion_mointegral_export.x will be in the release of Dirac2019).


Different examples are furnished in the examples/ repository in python, as well as a tutorial in tutorial/. If one wants to play more with the tutorial, use jupyter notebook to do so.

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