2.9.0

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 .

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

• @kshitij-05 made their first contribution in #281

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

2.8.2

Release 2.8.2 addresses issue #308 and includes several minor improvements.

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

What's Changed

• fix CI for setuptools=69 by @loriab in #319
• update libtool to 2.4.7 + update config.{guess,sub} to 2024-01-01 by @evaleev in #322
• fix BOOST_PP-related dispatch bug that affects 3-center derivatives when configured with --with-max-am=X --with-eri3-max-am=Y by @evaleev in #324

Full Changelog: v2.8.1...v2.8.2

2.8.1

Release 2.8.1 improves usability of Libint from CMake and addresses several API/build issues.

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

What's Changed

• add SONAME/SOVERSION by @debichem in #231
• Update solidharmonics.h by @JonathonMisiewicz in #302
• Reorder W integrals by @JonathonMisiewicz in #304
• disables detection/use of latex2html by default by @evaleev in #305
• fixup dvi and html builds in progman by @evaleev in #307

Full Changelog: v2.8.0...v2.8.1

N.B. 12/29/2023 rebuilt tarballs using GNU tar (original tarballs used BSD tar)

2.8.0

Release 2.8.0 improves usability of Libint from CMake, introduces support for Windows, and several new API changes and features.

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

2.7.2

Release 2.7.2 fixes evaluation of exponential integrals and insufficient precision of Taylor-based Boys engine.

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

2.7.1

Release 2.7.1 contains miscellaneous fixes and improvements. See CHANGES for the list of changes since the last release.

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

2.7.0

Release 2.7.0 contains numerous fixes and improvements. See CHANGES for the list of changes since the last release.

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

2.7.0-beta.6

Release 2.7.0-beta.6 contains misc fixes and improvements.

2.7.0-beta.5

Release 2.7.0-beta.5 is usable as a CMake subproject.

2.7.0-beta.4

Release 2.7.0-beta.4 includes minor fixes.