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2.9.0

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@evaleev evaleev released this 05 Mar 03:37

Release 2.9.0 introduces DF basis generator, increases max L for exponential integrals, and several misc improvements.

In addition to citing Libint2 as explained in file CITATION, please cite DOI.

What's Changed

  • AM symbols list by @loriab in #325
  • narrow down the distribution of cartesian coordinates of shells produced by RandomShellSet by @evaleev in #327
  • increase tenno function interpolation table to support m<=36 by @evaleev in #329
  • add soversion to lone shared lib by @loriab in #331
  • can use modularized Boost, even if built as part of the main project by @evaleev in #333
  • bump Catch2 to 2.13.10, resolves #328 by @evaleev in #334
  • Automatic Density Fitting basis generator by @kshitij-05 in #281
  • l->symbol maps condensed to 1 definition for non-Python code by @evaleev in #335

New Contributors

Full Changelog: v2.8.2...v2.9.0