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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.
| Package | Summary | Distribution | Download |
| xcfun-2.1.1-16.fc42.aarch64.html | A library of approximate exchange-correlation functionals | Fedora Rawhide for aarch64 | xcfun-2.1.1-16.fc42.aarch64.rpm |
| xcfun-2.1.1-16.fc42.i686.html | A library of approximate exchange-correlation functionals | Fedora Rawhide for x86_64 | xcfun-2.1.1-16.fc42.i686.rpm |
| xcfun-2.1.1-16.fc42.ppc64le.html | A library of approximate exchange-correlation functionals | Fedora Rawhide for ppc64le | xcfun-2.1.1-16.fc42.ppc64le.rpm |
| xcfun-2.1.1-16.fc42.s390x.html | A library of approximate exchange-correlation functionals | Fedora Rawhide for s390x | xcfun-2.1.1-16.fc42.s390x.rpm |
| xcfun-2.1.1-16.fc42.x86_64.html | A library of approximate exchange-correlation functionals | Fedora Rawhide for x86_64 | xcfun-2.1.1-16.fc42.x86_64.rpm |
| xcfun-2.1.1-15.fc41.aarch64.html | A library of approximate exchange-correlation functionals | Fedora 41 for aarch64 | xcfun-2.1.1-15.fc41.aarch64.rpm |
| xcfun-2.1.1-15.fc41.i686.html | A library of approximate exchange-correlation functionals | Fedora 41 for x86_64 | xcfun-2.1.1-15.fc41.i686.rpm |
| xcfun-2.1.1-15.fc41.ppc64le.html | A library of approximate exchange-correlation functionals | Fedora 41 for ppc64le | xcfun-2.1.1-15.fc41.ppc64le.rpm |
| xcfun-2.1.1-15.fc41.s390x.html | A library of approximate exchange-correlation functionals | Fedora 41 for s390x | xcfun-2.1.1-15.fc41.s390x.rpm |
| xcfun-2.1.1-15.fc41.x86_64.html | A library of approximate exchange-correlation functionals | Fedora 41 for x86_64 | xcfun-2.1.1-15.fc41.x86_64.rpm |
| xcfun-2.1.1-15.fc40.aarch64.html | A library of approximate exchange-correlation functionals | Fedora 40 updates for aarch64 | xcfun-2.1.1-15.fc40.aarch64.rpm |
| xcfun-2.1.1-15.fc40.i686.html | A library of approximate exchange-correlation functionals | Fedora 40 updates for x86_64 | xcfun-2.1.1-15.fc40.i686.rpm |
| xcfun-2.1.1-15.fc40.x86_64.html | A library of approximate exchange-correlation functionals | Fedora 40 updates for x86_64 | xcfun-2.1.1-15.fc40.x86_64.rpm |
| xcfun-2.1.1-15.el9.aarch64.html | A library of approximate exchange-correlation functionals | EPEL 9 for aarch64 | xcfun-2.1.1-15.el9.aarch64.rpm |
| xcfun-2.1.1-15.el9.ppc64le.html | A library of approximate exchange-correlation functionals | EPEL 9 for ppc64le | xcfun-2.1.1-15.el9.ppc64le.rpm |
| xcfun-2.1.1-15.el9.s390x.html | A library of approximate exchange-correlation functionals | EPEL 9 for s390x | xcfun-2.1.1-15.el9.s390x.rpm |
| xcfun-2.1.1-15.el9.x86_64.html | A library of approximate exchange-correlation functionals | EPEL 9 for x86_64 | xcfun-2.1.1-15.el9.x86_64.rpm |
| xcfun-2.1.1-10.fc39.aarch64.html | A library of approximate exchange-correlation functionals | Fedora 39 for aarch64 | xcfun-2.1.1-10.fc39.aarch64.rpm |
| xcfun-2.1.1-10.fc39.aarch64.html | A library of approximate exchange-correlation functionals | Fedora 40 for aarch64 | xcfun-2.1.1-10.fc39.aarch64.rpm |
| xcfun-2.1.1-10.fc39.i686.html | A library of approximate exchange-correlation functionals | Fedora 39 for x86_64 | xcfun-2.1.1-10.fc39.i686.rpm |
| xcfun-2.1.1-10.fc39.i686.html | A library of approximate exchange-correlation functionals | Fedora 40 for x86_64 | xcfun-2.1.1-10.fc39.i686.rpm |
| xcfun-2.1.1-10.fc39.ppc64le.html | A library of approximate exchange-correlation functionals | Fedora 39 for ppc64le | xcfun-2.1.1-10.fc39.ppc64le.rpm |
| xcfun-2.1.1-10.fc39.ppc64le.html | A library of approximate exchange-correlation functionals | Fedora 40 for ppc64le | xcfun-2.1.1-10.fc39.ppc64le.rpm |
| xcfun-2.1.1-10.fc39.s390x.html | A library of approximate exchange-correlation functionals | Fedora 39 for s390x | xcfun-2.1.1-10.fc39.s390x.rpm |
| xcfun-2.1.1-10.fc39.s390x.html | A library of approximate exchange-correlation functionals | Fedora 40 for s390x | xcfun-2.1.1-10.fc39.s390x.rpm |
| xcfun-2.1.1-10.fc39.x86_64.html | A library of approximate exchange-correlation functionals | Fedora 39 for x86_64 | xcfun-2.1.1-10.fc39.x86_64.rpm |
| xcfun-2.1.1-10.fc39.x86_64.html | A library of approximate exchange-correlation functionals | Fedora 40 for x86_64 | xcfun-2.1.1-10.fc39.x86_64.rpm |
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