https://bugzilla.redhat.com/show_bug.cgi?id=1961309 Bug ID: 1961309 Summary: Review Request: xcfun - A library of approximate exchange-correlation functionals Product: Fedora Version: rawhide Hardware: All OS: Linux Status: NEW Component: Package Review Severity: medium Priority: medium Assignee: nobody@xxxxxxxxxxxxxxxxx Reporter: susi.lehtola@xxxxxx QA Contact: extras-qa@xxxxxxxxxxxxxxxxx CC: package-review@xxxxxxxxxxxxxxxxxxxxxxx Target Milestone: --- Classification: Fedora Spec URL: https://jussilehtola.fedorapeople.org/xcfun.spec SRPM URL: https://jussilehtola.fedorapeople.org/xcfun-2.1.1-1.fc34.src.rpm Fedora Account System Username: jussilehtola Description: XCFun is a library of approximate exchange-correlation functionals, used in the Density Functional Theory description of electronic structure. Because XCFun is based on automatic differentiation the library can provide arbitrary order derivatives of all supported functionals. Only the exchange-correlation energy expression needs to be implemented, which is a huge gain in productivity (and also efficiency). For this reason the library is very well suited for high order time dependent DFT or for the development of new functionals. -- You are receiving this mail because: You are on the CC list for the bug. You are always notified about changes to this product and component _______________________________________________ package-review mailing list -- package-review@xxxxxxxxxxxxxxxxxxxxxxx To unsubscribe send an email to package-review-leave@xxxxxxxxxxxxxxxxxxxxxxx Fedora Code of Conduct: https://docs.fedoraproject.org/en-US/project/code-of-conduct/ List Guidelines: https://fedoraproject.org/wiki/Mailing_list_guidelines List Archives: https://lists.fedoraproject.org/archives/list/package-review@xxxxxxxxxxxxxxxxxxxxxxx Do not reply to spam on the list, report it: https://pagure.io/fedora-infrastructure
