├── .azure-pipelines.yml ├── .ci ├── example.sh └── windows.yml ├── .clang-format ├── .gitattributes ├── .github ├── CODEOWNERS ├── CONTRIBUTING.md ├── ISSUE_TEMPLATE.md ├── PULL_REQUEST_TEMPLATE.md ├── license-header ├── workflows │ ├── build-test.yml │ └── code-coverage.yml ├── xcfun-codecov.yml └── xcfun-gha.yml ├── .gitignore ├── .mailmap ├── .pre-commit-config.yaml ├── .readthedocs.yml ├── .style.yapf ├── .zenodo.json ├── CHANGELOG.md ├── CMakeLists.txt ├── LICENSE.md ├── Pipfile ├── README.md ├── RELICENSE ├── AlexBorgoo.mb ├── AndreGomes.md ├── ChristophJacob.md ├── ElisaRebolini.md ├── JonasJuselius.md ├── MiroslavIlias.md ├── RadovanBast.md ├── RobertoDiRemigio.md ├── SarahReimann.md ├── SimenReine.md ├── UlfEkstrom.md └── relicense-template-mplv2.txt ├── api ├── CMakeLists.txt ├── xcfun.f90 └── xcfun.h ├── cmake ├── .gitignore ├── README.md ├── XCFunConfig.cmake.in ├── autocmake.yml ├── autocmake │ ├── __init__.py │ ├── configure.py │ ├── external │ │ ├── __init__.py │ │ └── docopt.py │ ├── extract.py │ ├── generate.py │ ├── interpolate.py │ ├── parse_rst.py │ └── parse_yaml.py ├── custom │ ├── code_coverage.cmake │ ├── compilers │ │ ├── CXXFlags.cmake │ │ ├── README.md │ │ └── SetCompilerFlag.cmake │ ├── static_library.cmake │ ├── test.cmake │ └── xcfun.cmake ├── downloaded │ ├── autocmake_custom_color_messages.cmake │ ├── autocmake_cxx.cmake │ ├── autocmake_default_build_paths.cmake │ └── autocmake_safeguards.cmake └── update.py ├── codecov.yml ├── docs ├── Doxyfile.in ├── Makefile ├── _static │ ├── default.css │ └── logo2.png ├── api.rst ├── building.rst ├── conf.py ├── functionals.rst ├── index.rst ├── migration.rst ├── requirements.txt └── using.rst ├── environment.yml ├── examples ├── CXX_host │ ├── CMakeLists.txt │ └── example.cpp ├── C_host │ ├── CMakeLists.txt │ ├── example.c │ └── funeval.c ├── Fortran_host │ ├── CMakeLists.txt │ └── example.f90 └── README.md ├── external └── upstream │ ├── fetch_pybind11.cmake │ └── taylor │ ├── README │ ├── ctaylor.hpp │ ├── ctaylor_math.hpp │ ├── micromath.hpp │ ├── polymul.hpp │ ├── taylor.hpp │ ├── taylor_math.hpp │ ├── tmath.hpp │ └── unittest_taylor.cpp ├── python ├── CMakeLists.txt ├── __init__.py ├── export_xcfun.cpp └── xcfun.py ├── requirements.txt ├── setup ├── src ├── CMakeLists.txt ├── XCFunctional.cpp ├── XCFunctional.hpp ├── config.hpp ├── densvars.hpp ├── functional.hpp ├── functionals │ ├── CMakeLists.txt │ ├── SCAN_like_eps.hpp │ ├── SCANc.cpp │ ├── SCANx.cpp │ ├── aliases.cpp │ ├── apbec.cpp │ ├── apbex.cpp │ ├── b97-1xc.cpp │ ├── b97-2xc.cpp │ ├── b97c.hpp │ ├── b97x.hpp │ ├── b97xc.cpp │ ├── b97xc.hpp │ ├── beckex.cpp │ ├── blocx.cpp │ ├── brx.cpp │ ├── btk.cpp │ ├── common_parameters.cpp │ ├── constants.hpp │ ├── cs.cpp │ ├── ktx.cpp │ ├── lb94.cpp │ ├── ldaerfc.cpp │ ├── ldaerfc_jt.cpp │ ├── ldaerfx.cpp │ ├── list_of_functionals.hpp │ ├── lypc.cpp │ ├── m05c.cpp │ ├── m05x.cpp │ ├── m05x2c.cpp │ ├── m05x2x.cpp │ ├── m06c.cpp │ ├── m06hfc.cpp │ ├── m06hfx.cpp │ ├── m06lc.cpp │ ├── m06lx.cpp │ ├── m06x.cpp │ ├── m06x2c.cpp │ ├── m06x2x.cpp │ ├── m0xy_fun.hpp │ ├── optx.cpp │ ├── optxcorr.cpp │ ├── p86c.cpp │ ├── pbec.cpp │ ├── pbec_eps.hpp │ ├── pbeintc.cpp │ ├── pbeintx.cpp │ ├── pbelocc.cpp │ ├── pbesolx.cpp │ ├── pbex.cpp │ ├── pbex.hpp │ ├── pw86x.cpp │ ├── pw91c.cpp │ ├── pw91k.cpp │ ├── pw91x.cpp │ ├── pw92c.cpp │ ├── pw92eps.hpp │ ├── pw9xx.hpp │ ├── pz81c.cpp │ ├── pz81c.hpp │ ├── r2SCANc.cpp │ ├── r2SCANx.cpp │ ├── r4SCANc.cpp │ ├── r4SCANx.cpp │ ├── rSCANc.cpp │ ├── rSCANx.cpp │ ├── revpbex.cpp │ ├── revtpssc.cpp │ ├── revtpssc_eps.hpp │ ├── revtpssx.cpp │ ├── revtpssx_eps.hpp │ ├── rpbex.cpp │ ├── rppSCANc.cpp │ ├── rppSCANx.cpp │ ├── slater.hpp │ ├── slaterx.cpp │ ├── spbec.cpp │ ├── tfk.cpp │ ├── tpssc.cpp │ ├── tpssc_eps.hpp │ ├── tpsslocc.cpp │ ├── tpssx.cpp │ ├── tpssx_eps.hpp │ ├── tw.cpp │ ├── vonw.cpp │ ├── vwn.hpp │ ├── vwn3.cpp │ ├── vwn5c.cpp │ ├── zvpbeint.cpp │ └── zvpbesolc.cpp ├── specmath.hpp ├── version_info.hpp ├── 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