fedora

Information for build CheMPS2-1.8.9-26.fc42

ID987
Package NameCheMPS2
Version1.8.9
Release26.fc42
Epoch
DraftFalse
SummaryA spin-adapted implementation of DMRG for ab initio quantum chemistry
DescriptionThe 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.
Built bydavidlt
State complete
Volume DEFAULT
StartedMon, 09 Jun 2025 16:08:26 UTC
CompletedMon, 09 Jun 2025 16:08:26 UTC
Tags
f42
RPMs
src
CheMPS2-1.8.9-26.fc42.src.rpm (info) (download)
riscv64
CheMPS2-1.8.9-26.fc42.riscv64.rpm (info) (download)
CheMPS2-devel-1.8.9-26.fc42.riscv64.rpm (info) (download)
CheMPS2-debuginfo-1.8.9-26.fc42.riscv64.rpm (info) (download)
CheMPS2-debugsource-1.8.9-26.fc42.riscv64.rpm (info) (download)
Changelog * 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 * 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