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CheMPS2-1.8.9-22.fc40 RPM for ppc64le

From Fedora Rawhide for ppc64le / c

Name: CheMPS2 Distribution: Fedora Project
Version: 1.8.9 Vendor: Fedora Project
Release: 22.fc40 Build date: Mon Jan 22 21:55:21 2024
Group: Unspecified Build host: buildvm-ppc64le-13.iad2.fedoraproject.org
Size: 2030839 Source RPM: CheMPS2-1.8.9-22.fc40.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

GPLv2+

Changelog

* 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
* 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

Files

/usr/bin/chemps2
/usr/lib/.build-id
/usr/lib/.build-id/18
/usr/lib/.build-id/18/7c646c97cafab4f061fb9529ad26faecfddb5a
/usr/lib/.build-id/7f
/usr/lib/.build-id/7f/18bda1b5b2696985486c91d29bc91f077eda90
/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, Thu May 23 02:22:46 2024