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Name: libint2-2 | Distribution: openSUSE Tumbleweed |
Version: 2.7.2 | Vendor: openSUSE |
Release: 2.2 | Build date: Sun Sep 17 12:42:28 2023 |
Group: System/Libraries | Build host: h02-ch2a |
Size: 138295847 | Source RPM: libint-2.7.2-2.2.src.rpm |
Packager: https://bugs.opensuse.org | |
Url: https://evaleev.github.io/libint/ | |
Summary: Main libint library v2 |
LIBINT computes the Coulomb and exchange integrals, which in electronic structure theory are called electron repulsion integrals (ERIs). This is by far the most common type of integrals in molecular structure theory. LIBINT uses recursive schemes that originate in seminal Obara-Saika method and Head-Gordon and Pople’s variation thereof. The idea of LIBINT is to optimize computer implementation of such methods by implementing an optimizing compiler to generate automatically highly-specialized code that runs well on super-scalar architectures. This package contains the library of the libint package.
GPL-3.0-or-later AND LGPL-3.0-or-later
* Wed Jan 18 2023 Andreas Schwab <schwab@suse.de> - Update constraints for riscv64 * Thu Dec 15 2022 Guillaume GARDET <guillaume.gardet@opensuse.org> - Exclude 32-bits - Update to 2.7.2: * PR 251: fixed exponential integrals for large T * PR 243: fixed Taylor-based Boys engine (HT @bingao) * Thu Apr 28 2022 Guillaume GARDET <guillaume.gardet@opensuse.org> - Increase disk size to avoid 'No space left' error * Wed Feb 09 2022 Bernhard Wiedemann <bwiedemann@suse.com> - Update to version 2.7.1 * numerous fixes and improvements. See CHANGES for the list of changes * Sort input file list for reproducible builds (boo#1041090) * Mon Oct 26 2020 Christoph Junghans <junghans@votca.org> - Build needs 4GB of memory * Wed Oct 14 2020 Christoph Junghans <junghans@votca.org> - Enable even more features * Tue Oct 13 2020 Christoph Junghans <junghans@votca.org> - Compile with support derivatives of 3-center electron repulsion integrals * Sun Aug 23 2020 Christoph Junghans <junghans@votca.org> - Initial import
/usr/lib64/libint2.so.2 /usr/lib64/libint2.so.2.0.3 /usr/share/doc/packages/libint2-2 /usr/share/doc/packages/libint2-2/CHANGES /usr/share/doc/packages/libint2-2/README.md /usr/share/licenses/libint2-2 /usr/share/licenses/libint2-2/COPYING /usr/share/licenses/libint2-2/COPYING.LESSER /usr/share/licenses/libint2-2/LICENSE
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Fabrice Bellet, Wed Nov 13 00:41:02 2024