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CheMPS2-1.8-1.fc25 RPM for i686

From Fedora 25 for i386 / c

Name: CheMPS2 Distribution: Fedora Project
Version: 1.8 Vendor: Fedora Project
Release: 1.fc25 Build date: Mon Aug 29 13:27:25 2016
Group: Unspecified Build host: buildvm-06.phx2.fedoraproject.org
Size: 1575033 Source RPM: CheMPS2-1.8-1.fc25.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 Aug 29 2016 Matt Chan <talcite@gmail.com> - 1.8-1
  - Updated to 1.8, Updated patches, build shared only
* Tue Jul 19 2016 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.7.3-2
  - https://fedoraproject.org/wiki/Changes/Automatic_Provides_for_Python_RPM_Packages
* Thu Jul 14 2016 Matt Chan <talcite@gmail.com> - 1.7.3-1
  - Updated to 1.7.3
* Wed Jun 15 2016 Matt Chan <talcite@gmail.com> - 1.7.2-1
  - Updated to 1.7.2
* Wed Jun 15 2016 Matt Chan <talcite@gmail.com> - 1.7-4
  - Added patch, cleaned up specfile
* Wed Jun 15 2016 Matt Chan <talcite@gmail.com> - 1.7-3
  - Changed CXX flags, changed BR
* Tue Jun 14 2016 Matt Chan <talcite@gmail.com> - 1.7-2
  - Changed to follow packaging guidelines
  - Added zlib for RHEL6 compatibility
* Sat Jun 11 2016 Matt Chan <talcite@gmail.com> - 1.7-1
  - Initial build

Files

/usr/bin/chemps2
/usr/lib/libchemps2.so.2
/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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