Index | index by Group | index by Distribution | index by Vendor | index by creation date | index by Name | Mirrors | Help | Search |
Name: CheMPS2 | Distribution: Fedora Project |
Version: 1.8.9 | Vendor: Fedora Project |
Release: 19.fc39 | Build date: Wed Jul 19 13:07:46 2023 |
Group: Unspecified | Build host: buildvm-a64-24.iad2.fedoraproject.org |
Size: 1571095 | Source RPM: CheMPS2-1.8.9-19.fc39.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.
GPLv2+
* Wed Jul 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-19 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Wed Jan 18 2023 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-18 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Fri Jan 13 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.8.9-17 - Rebuild due to erroneous package retirement. * Wed Jul 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-16 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Wed Jan 19 2022 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-15 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Sun Nov 21 2021 Orion Poplawski <orion@nwra.com> - 1.8.9-14 - Rebuild for hdf5 1.12.1 * Tue Aug 10 2021 Orion Poplawski <orion@nwra.com> - 1.8.9-13 - Rebuild for hdf5 1.10.7 * Wed Jul 21 2021 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-12 - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild
/usr/bin/chemps2 /usr/lib/.build-id /usr/lib/.build-id/15 /usr/lib/.build-id/15/c364db31a039f9b93535807c605f1d5a69fb06 /usr/lib/.build-id/cf /usr/lib/.build-id/cf/e1141a498f90bf9760861b7e5783aae4835205 /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
Generated by rpm2html 1.8.1
Fabrice Bellet, Tue Jul 9 22:15:25 2024