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Name: CheMPS2 | Distribution: Fedora Project |
Version: 1.8.9 | Vendor: Fedora Project |
Release: 30.fc44 | Build date: Fri Aug 22 18:17:38 2025 |
Group: Unspecified | Build host: buildvm-s390x-20.s390.fedoraproject.org |
Size: 1681119 | Source RPM: CheMPS2-1.8.9-30.fc44.src.rpm |
Packager: Fedora Project | |
Url: https://github.com/SebWouters/CheMPS2 | |
Summary: A spin-adapted implementation of DMRG for ab initio quantum chemistry |
The CheMPS2 library provides a free open-source spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction. For the input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the 2-RDM of the active space. The latter allows to calculate various properties, as well as the gradient and Hessian for orbital rotations or nuclear displacements.
GPL-2.0-or-later
* Fri Aug 22 2025 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.8.9-30 - Fix broken patch from 1.8.9-28 * Wed Jul 23 2025 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-29 - Rebuilt for https://fedoraproject.org/wiki/Fedora_43_Mass_Rebuild * Thu May 15 2025 Cristian Le <git@lecris.dev> - 1.8.9-28 - Add an upstream patch to build with CMake 4.0 * Tue May 06 2025 Cristian Le <git@lecris.dev> - 1.8.9-27 - Allow CMake 4.0 build * Thu Jan 16 2025 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-26 - Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild * Fri Oct 25 2024 Orion Poplawski <orion@nwra.com> - 1.8.9-25 - Rebuild for hdf5 1.14.5 * Fri Jul 26 2024 Miroslav Suchý <msuchy@redhat.com> - 1.8.9-24 - convert license to SPDX * Wed Jul 17 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-23 - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild * Mon Jan 22 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-22 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Fri Jan 19 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-21 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Thu Jan 18 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-20 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
/usr/bin/chemps2 /usr/lib/.build-id /usr/lib/.build-id/9d /usr/lib/.build-id/9d/55246523d5e3413757b9f101dc81402bfc1dcd /usr/lib/.build-id/b2 /usr/lib/.build-id/b2/415e2192c595c1c1d6b21cbc7d969af42c1647 /usr/lib64/libchemps2.so.3 /usr/share/doc/CheMPS2 /usr/share/doc/CheMPS2/CHANGELOG.md /usr/share/doc/CheMPS2/FILES.md /usr/share/doc/CheMPS2/README.md /usr/share/licenses/CheMPS2 /usr/share/licenses/CheMPS2/LICENSE /usr/share/man/man1/chemps2.1.gz
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Fabrice Bellet, Sat Aug 23 23:47:16 2025