EMSL/PNNL Basis Set Exchange Archive

<p>This data reflects the output of the PNNL/EMSL Basis Set Exchange collected in the summer of 2018.</p> <p>The output was collected via script, and contains all basis set and format combinations.</p> <p>In this dataset are archives representing all the available output formats. Within those archives are all the basis sets found on the BSE website.</p> <ul> <li><strong>tar.bz2</strong> files are meant to be use with Linux and have Unix line endings.</li> <li><strong>Zip</strong> files are meant for Windows and have the appropriate line endings for Windows.</li> <li>Archives with the suffix <strong>.min_gen</strong> contain the output of the BSE when the <em>Optimize General Contractions</em> button is checked.&nbsp;</li> </ul> <p>If the output when using <em>Optimize General Contractions</em> was the same as with the button not checked, the output file not kept. Instead, use the file from the archive without the <strong>.min_gen</strong> suffix.</p> <p>For more information about the new basis set exchange, visit the new website: <a href="https://www.basissetexchange.org">https://www.basissetexchange.org</a></p> <p>For questions/comments/issues, email <a href="mailto:bse@molssi.org">bse@molssi.org</a></p>