MolSSI Integral Reference Project

The MolSSI Integral Reference Project (MIRP) is a project overseen by the Molecular Sciences Software Institute (MolSSI). Its primary goal is to create and maintain reference implementations for integrals commonly found in quantum chemistry software.
MIRP has two main parts. The first is the reference implementations themselves. These implementations are generally slow algorithms, however they tend to be simple and easier to understand than algorithms typically found in production. In addition, the reference implementation is also written using both the usual doubleprecision floating point numbers, as well as using an arbitraryprecision interval arithmetic library (arblib  http://arblib.org). This library allows for estimation of the amount of error (such as roundoff error) accumulated throughout the computation.
The second part of MIRP is a set of precomputed values that new and existing integral packages can test against to detect deficiencies in their algorithms. These values are computed using the functionality described above. Due to the use of the interval arithmetic library, the value of the integrals can be computed to a given target precision and ensured to be accurate to the last printed place (unit of least precision, ulp).
The source code of MIRP is available at GitHub at https://github.com/MolSSI/MIRP
MIRP (and dependencies) can be built with most standard C/C++ compilers. In addition, both MIRP (and the dependencies) can be obtained as linux executables and shared libraries.
Archives of source and binaries, as well as reference data files, can be found on Zenodo.
Software (source and binaries): https://zenodo.org/record/1063525
Reference data: https://zenodo.org/record/1043590
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.
Some examples of using MIRP can be found in the examples
subdirectory. Examples include using MIRP as a library, as well as how to read from a reference file.
Bugs and suggestions for improvements can be reported via github issues or by emailing the main author directly.
MIRP is primarily written by Benjamin Pritchard <bpp4@>, a Software Scientist at MolSSI. vt.e du
MIRP is released under the 3Clause BSD License. See the LICENSE file for more details.
This work was supported by the Molecular Sciences Software Institute under U.S. National Science Foundation grant ACI1547580.