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Fedora Update Notification
FEDORA-2016-299abcf63d
2016-08-08 17:17:53.507407
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Name : CheMPS2
Product : Fedora 23
Version : 1.7.3
Release : 1.fc23
URL :
https://github.com/SebWouters/CheMPS2
Summary : A spin-adapted implementation of DMRG for ab initio quantum chemistry
Description :
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.
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Update Information:
Updated to 1.7.3 ---- Updated to 1.7.2
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References:
[ 1 ] Bug #1356575 - CheMPS2-v1.7.3 is available
https://bugzilla.redhat.com/show_bug.cgi?id=1356575
[ 2 ] Bug #1351188 - CheMPS2-v1.7.2 is available
https://bugzilla.redhat.com/show_bug.cgi?id=1351188
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This update can be installed with the "yum" update program. Use
su -c 'yum update CheMPS2' at the command line.
For more information, refer to "Managing Software with yum",
available at
https://docs.fedoraproject.org/yum/.
All packages are signed with the Fedora Project GPG key. More details on the
GPG keys used by the Fedora Project can be found at
https://fedoraproject.org/keys
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