Please do not reply directly to this email. All additional comments should be made in the comments box of this bug. Summary: Review Request: libint - A library that evaluates integrals over Gaussian basis functions https://bugzilla.redhat.com/show_bug.cgi?id=502621 Summary: Review Request: libint - A library that evaluates integrals over Gaussian basis functions Product: Fedora Version: rawhide Platform: All OS/Version: Linux Status: NEW Severity: medium Priority: medium Component: Package Review AssignedTo: nobody@xxxxxxxxxxxxxxxxx ReportedBy: jussi.lehtola@xxxxxx QAContact: extras-qa@xxxxxxxxxxxxxxxxx CC: notting@xxxxxxxxxx, fedora-package-review@xxxxxxxxxx Estimated Hours: 0.0 Classification: Fedora Spec URL: http://theory.physics.helsinki.fi/~jzlehtol/rpms/libint.spec SRPM URL: http://theory.physics.helsinki.fi/~jzlehtol/rpms/libint-1.1.4-1.fc10.src.rpm 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. rpmlint output is clean. -- Configure bugmail: https://bugzilla.redhat.com/userprefs.cgi?tab=email ------- You are receiving this mail because: ------- You are on the CC list for the bug. _______________________________________________ Fedora-package-review mailing list Fedora-package-review@xxxxxxxxxx http://www.redhat.com/mailman/listinfo/fedora-package-review