https://bugzilla.redhat.com/show_bug.cgi?id=1961309
Susi Lehtola <[email protected]> changed: What |Removed |Added ---------------------------------------------------------------------------- Comment|0 |updated --- Comment #0 has been edited --- 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. [This is an optional dependence to python-pyscf that hasn't been packaged yet.] -- 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 -- [email protected] To unsubscribe send an email to [email protected] 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/[email protected] Do not reply to spam on the list, report it: https://pagure.io/fedora-infrastructure
