-------------------------------------------------------------------------------- Fedora Update Notification FEDORA-2009-6393 2009-06-15 22:07:09 --------------------------------------------------------------------------------
Name : libint Product : Fedora 11 Version : 1.1.4 Release : 1.fc11 URL : http://www.files.chem.vt.edu/chem-dept/valeev/software/libint/libint.html Summary : A library that evaluates integrals over Gaussian basis functions Description : Libint library is used to evaluate the traditional (electron repulsion) and certain novel two-body matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory. The idea of the library is to let computer write optimized code for computing such integrals. There are two primary advantages to this: much less human effort is required to write code for computing new integrals, and code can be optimized specifically for a particular computer architecture (e.g., vector processor). Libint has been utilized to implement methods such as Hartree-Fock (HF) and Kohn-Sham density functional theory (KS DFT), second-order Moller-Plesset perturbation theory (MP2), coupled cluster singles and doubles (CCSD) method, as well as explicitly correlated R12 methods. -------------------------------------------------------------------------------- Update Information: First release in Fedora. -------------------------------------------------------------------------------- ChangeLog: -------------------------------------------------------------------------------- References: [ 1 ] Bug #502621 - Review Request: libint - A library that evaluates integrals over Gaussian basis functions https://bugzilla.redhat.com/show_bug.cgi?id=502621 -------------------------------------------------------------------------------- This update can be installed with the "yum" update program. Use su -c 'yum update libint' at the command line. For more information, refer to "Managing Software with yum", available at http://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 http://fedoraproject.org/keys -------------------------------------------------------------------------------- _______________________________________________ Fedora-package-announce mailing list Fedora-package-announce@redhat.com http://www.redhat.com/mailman/listinfo/fedora-package-announce