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Name: xcfun-devel | Distribution: Fedora Project |
Version: 2.1.1 | Vendor: Fedora Project |
Release: 14.fc41 | Build date: Mon Jun 24 18:22:46 2024 |
Group: Unspecified | Build host: buildvm-s390x-04.s390.fedoraproject.org |
Size: 120233 | Source RPM: xcfun-2.1.1-14.fc41.src.rpm |
Packager: Fedora Project | |
Url: https://xcfun.readthedocs.io | |
Summary: Development headers and libraries for XCFun |
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 package contains the development headers and libraries necessary to compile code against XCFun.
MPL-2.0
* Thu Jun 20 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.1.1-14 - Modernize patch syntax. * Sat Jun 08 2024 Python Maint <python-maint@redhat.com> - 2.1.1-13 - Rebuilt for Python 3.13 * Sat Apr 13 2024 Miroslav Suchý <msuchy@redhat.com> - 2.1.1-12 - convert license to SPDX * Sat Jan 27 2024 Fedora Release Engineering <releng@fedoraproject.org> - 2.1.1-11 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Sat Jul 22 2023 Fedora Release Engineering <releng@fedoraproject.org> - 2.1.1-10 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Tue Jun 13 2023 Python Maint <python-maint@redhat.com> - 2.1.1-9 - Rebuilt for Python 3.12 * Sat Jan 21 2023 Fedora Release Engineering <releng@fedoraproject.org> - 2.1.1-8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Sat Jul 23 2022 Fedora Release Engineering <releng@fedoraproject.org> - 2.1.1-7 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild
/usr/include/XCFun /usr/include/XCFun/XCFunExport.h /usr/include/XCFun/XCFunctional.hpp /usr/include/XCFun/config.hpp /usr/include/XCFun/densvars.hpp /usr/include/XCFun/functional.hpp /usr/include/XCFun/functionals /usr/include/XCFun/functionals/SCAN_like_eps.hpp /usr/include/XCFun/functionals/b97c.hpp /usr/include/XCFun/functionals/b97x.hpp /usr/include/XCFun/functionals/b97xc.hpp /usr/include/XCFun/functionals/constants.hpp /usr/include/XCFun/functionals/list_of_functionals.hpp /usr/include/XCFun/functionals/m0xy_fun.hpp /usr/include/XCFun/functionals/pbec_eps.hpp /usr/include/XCFun/functionals/pbex.hpp /usr/include/XCFun/functionals/pw92eps.hpp /usr/include/XCFun/functionals/pw9xx.hpp /usr/include/XCFun/functionals/pz81c.hpp /usr/include/XCFun/functionals/revtpssc_eps.hpp /usr/include/XCFun/functionals/revtpssx_eps.hpp /usr/include/XCFun/functionals/slater.hpp /usr/include/XCFun/functionals/tpssc_eps.hpp /usr/include/XCFun/functionals/tpssx_eps.hpp /usr/include/XCFun/functionals/vwn.hpp /usr/include/XCFun/specmath.hpp /usr/include/XCFun/xcfun.f90 /usr/include/XCFun/xcfun.h /usr/include/XCFun/xcint.hpp /usr/lib64/libxcfun.so /usr/share/cmake/XCFun /usr/share/cmake/XCFun/XCFunConfig.cmake /usr/share/cmake/XCFun/XCFunConfigVersion.cmake /usr/share/cmake/XCFun/XCFunTargets-relwithdebinfo.cmake /usr/share/cmake/XCFun/XCFunTargets.cmake
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Fabrice Bellet, Tue Jul 23 01:52:56 2024