evaleev/libint: 2.9.0

dc.contributor.affiliationVirginia Tech - Eduard Valeyev
dc.contributor.affiliationVirginia Tech - Kshitij Surjuse
dc.contributor.affiliationGeorgia Tech - Lori A. Burns
dc.contributor.affiliation@evangelistalab - Jonathon Misiewicz
dc.contributor.affiliationSandia National Laboratories - Drew Lewis
dc.contributor.affiliation@togethercomputer - Justus Calvin
dc.contributor.affiliationVirginia Tech - Chong Peng
dc.contributor.affiliation@pfnet - Katsuhiko Nishimra
dc.contributor.affiliationUniversity of Helsinki - Susi Lehtola
dc.contributor.affiliation@epfl-matmat - Michael F. Herbst
dc.contributor.affiliationGSI Technology - Ondřej Čertík
dc.contributor.affiliationStanford University - Roman Ellerbrock
dc.contributor.affiliationDartmouth College - James D Whitfield
dc.contributor.affiliation@SUSE - Bernhard M. Wiedemann
dc.contributor.affiliationLawerence Berkeley National Lab - David Williams-Young
dc.contributor.affiliationSungkyunkwan University - Soohaeng Yoo Willow
dc.contributor.affiliationUniversity of Chemistry and Technology, Prague - Tomáš Jíra
dc.contributor.authorEduard Valeyev
dc.contributor.authorKshitij Surjuse
dc.contributor.authorLori A. Burns
dc.contributor.authorAdam Abbott
dc.contributor.authorEisuke Kawashima
dc.contributor.authorPatrick Seewald
dc.contributor.authorJonathon Misiewicz
dc.contributor.authorDrew Lewis
dc.contributor.authorJustus Calvin
dc.contributor.authorJonathan Dullea
dc.contributor.authorChong Peng
dc.contributor.authorAndrey Asadchev
dc.contributor.authorAjay Panyala
dc.contributor.authorKatsuhiko Nishimra
dc.contributor.authormclement1
dc.contributor.authorsamslattery
dc.contributor.authorjfermann
dc.contributor.authorSusi Lehtola
dc.contributor.authorMichael F. Herbst
dc.contributor.authorOndřej Čertík
dc.contributor.authorRoman Ellerbrock
dc.contributor.authorJames D Whitfield
dc.contributor.authorBernhard M. Wiedemann
dc.contributor.authorDavid Williams-Young
dc.contributor.authorFrancesco Bosia
dc.contributor.authorMichael Banck
dc.contributor.authorSoohaeng Yoo Willow
dc.contributor.authorTomáš Jíra
dc.date.accessioned2025-03-24T15:21:21Z
dc.date.issued2024-03-05
dc.date.issued2024-03-05
dc.descriptionRelease 2.9.0 introduces DF basis generator, increases max L for exponential integrals, and several misc improvements. What's Changed AM symbols list by @loriab in https://github.com/evaleev/libint/pull/325 narrow down the distribution of cartesian coordinates of shells produced by RandomShellSet by @evaleev in https://github.com/evaleev/libint/pull/327 increase tenno function interpolation table to support m<=36 by @evaleev in https://github.com/evaleev/libint/pull/329 add soversion to lone shared lib by @loriab in https://github.com/evaleev/libint/pull/331 can use modularized Boost, even if built as part of the main project by @evaleev in https://github.com/evaleev/libint/pull/333 bump Catch2 to 2.13.10, resolves #328 by @evaleev in https://github.com/evaleev/libint/pull/334 Automatic Density Fitting basis generator by @kshitij-05 in https://github.com/evaleev/libint/pull/281 l->symbol maps condensed to 1 definition for non-Python code by @evaleev in https://github.com/evaleev/libint/pull/335 New Contributors @kshitij-05 made their first contribution in https://github.com/evaleev/libint/pull/281 Full Changelog: https://github.com/evaleev/libint/compare/v2.8.2...v2.9.0
dc.identifierhttps://doi.org/10.5281/zenodo.10780719
dc.identifier.urihttps://hydatakatalogi-test-24.it.helsinki.fi/handle/123456789/10856
dc.rightsOpen
dc.rights.licensecc-by-4.0
dc.titleevaleev/libint: 2.9.0
dc.typesoftware
dc.typesoftware
Zenodo


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