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CheMPS2-1.8.9-6.fc32 RPM for x86_64

From Fedora 32 for x86_64 / c

Name: CheMPS2 Distribution: Fedora Project
Version: 1.8.9 Vendor: Fedora Project
Release: 6.fc32 Build date: Tue Jan 28 10:18:35 2020
Group: Unspecified Build host: buildvm-23.phx2.fedoraproject.org
Size: 1573687 Source RPM: CheMPS2-1.8.9-6.fc32.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

* Tue Jan 28 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-6
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild
* Wed Jul 24 2019 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-5
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild
* Sat Mar 16 2019 Orion Poplawski <orion@nwra.com> - 1.8.9-4
  - Rebuild for hdf5 1.10.5
* Thu Jan 31 2019 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.9-3
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild
* Tue Jan 15 2019 Miro HronĨok <mhroncok@redhat.com> - 1.8.9-2
  - Subpackage python2-chemps2 has been removed
    See https://fedoraproject.org/wiki/Changes/Mass_Python_2_Package_Removal
* Sun Nov 11 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.8.9-1
  - Switch to using OpenBLAS instead of ATLAS.
  - Update to 1.8.9.
* Thu Jul 12 2018 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.3-8
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
* Wed Feb 07 2018 Fedora Release Engineering <releng@fedoraproject.org> - 1.8.3-7
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild

Files

/usr/bin/chemps2
/usr/lib/.build-id
/usr/lib/.build-id/07
/usr/lib/.build-id/07/b15506c6a06487fd65b72f191eaacd69edcfe7
/usr/lib/.build-id/d5
/usr/lib/.build-id/d5/101fa6407a1377462d6d2003b46b5238069187
/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, Tue Nov 9 16:36:53 2021