Index index by Group index by Distribution index by Vendor index by creation date index by Name Mirrors Help Search

CheMPS2-1.8.9-19.fc39 RPM for ppc64le

From Fedora Rawhide for ppc64le / c

Name: CheMPS2 Distribution: Fedora Project
Version: 1.8.9 Vendor: Fedora Project
Release: 19.fc39 Build date: Wed Jul 19 13:12:05 2023
Group: Unspecified Build host: buildvm-ppc64le-20.iad2.fedoraproject.org
Size: 2096295 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.

Provides

Requires

License

GPLv2+

Changelog

* 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

Files

/usr/bin/chemps2
/usr/lib/.build-id
/usr/lib/.build-id/91
/usr/lib/.build-id/91/b973c362b29691e5bb6396dac842da85e709fd
/usr/lib/.build-id/bb
/usr/lib/.build-id/bb/9d3f4713ba53972a80e78a73e3f25f14e4a6a0
/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, Sun Jan 28 01:12:38 2024