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CheMPS2-1.8.9-25.fc42 RPM for i686

From Fedora Rawhide for x86_64 / c

Name: CheMPS2 Distribution: Fedora Project
Version: 1.8.9 Vendor: Fedora Project
Release: 25.fc42 Build date: Sat Oct 26 05:23:07 2024
Group: Unspecified Build host: buildhw-x86-10.iad2.fedoraproject.org
Size: 1779761 Source RPM: CheMPS2-1.8.9-25.fc42.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.

Provides

Requires

License

GPL-2.0-or-later

Changelog

* Fri Oct 25 2024 Orion Poplawski <[email protected]> - 1.8.9-25
  - Rebuild for hdf5 1.14.5
* Fri Jul 26 2024 Miroslav Suchý <[email protected]> - 1.8.9-24
  - convert license to SPDX
* Wed Jul 17 2024 Fedora Release Engineering <[email protected]> - 1.8.9-23
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild
* Mon Jan 22 2024 Fedora Release Engineering <[email protected]> - 1.8.9-22
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
* Fri Jan 19 2024 Fedora Release Engineering <[email protected]> - 1.8.9-21
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
* Thu Jan 18 2024 Fedora Release Engineering <[email protected]> - 1.8.9-20
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
* Wed Jul 19 2023 Fedora Release Engineering <[email protected]> - 1.8.9-19
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild
* Wed Jan 18 2023 Fedora Release Engineering <[email protected]> - 1.8.9-18
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild
* Fri Jan 13 2023 Susi Lehtola <[email protected]> - 1.8.9-17
  - Rebuild due to erroneous package retirement.

Files

/usr/bin/chemps2
/usr/lib/.build-id
/usr/lib/.build-id/83
/usr/lib/.build-id/83/59d409095f9cafbe0a8c37de76bc8c5794af33
/usr/lib/.build-id/c5
/usr/lib/.build-id/c5/b1e7a900beb6ed466c483727330eb4e72347bb
/usr/lib/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, Thu Dec 12 23:25:27 2024