MolSSI Integral Reference Project (MIRP)

Overview

The goal of the MolSSI Integral Reference Project is to provide both reference data and reference implementations of common integrals found in computational chemistry.

DOI and Citation

MIRP is available on Zenodo under the following DOIs:

Source and Binaries:

Reference Files:

These represent DOIs for the overall project and always point to the latest release. If you are using a specific version, you should specify the DOI for that version.

Documentation

Complete documentation can be found at https://molssi.github.io/MIRP

Requirements

• C/C++ compiler (supporting C++11)

• CMake (http://cmake.org)

• Arb (http://arblib.org)

• Flint (http://flintlib.org)

• MPFR (http://mpfr.org)

• GMP (http://gmplib.org)

  • MPIR (http://mpir.org) may work, but is untested

License

MIRP is released under the BSD 3-clause license. See LICENSE for details.

Acknowledgements

This work was supported by the Molecular Sciences Software Institute under U.S. National Science Foundation grant ACI-1547580.