MolSSI Reference Integral Project - Reference Datafiles

<p>These files contain integral data calculated as part of the MolSSI Integral Reference Project (MIRP).</p> <p>As part of MIRP, integrals are computed via arbitrary-precision interval arithmetic. These values are then rounded to the nearest double-precision value, and stored in these data files. The files are compressed with bzip2, and should be uncompressed before use.</p> <p>Currently, only ERI for gaussian-type orbitals are computed. The basis set data is included within the reference files themselves.</p> <p>Software for creating these files (including documentation), and examples of reading from them, can be found at DOI 10.5281/zenodo.1063526</p> <p>More information about the reference project can be found at http://molssi.org and at https://github.com/MolSSI/MIRP</p>