CMakeLists.txt
LICENSE
MANIFEST.in
README.md
pyproject.toml
setup.cfg
setup.py
lib/.codecov.yml
lib/.git
lib/.gitignore
lib/AUTHORS
lib/CHANGELOG.md
lib/CMakeLists.txt
lib/Contributing.md
lib/LICENSE
lib/README.md
lib/VERSION
lib/.github/MinGW-Toolchain.cmake
lib/.github/workflows/docs.yml
lib/.github/workflows/tests.yml
lib/cmake/ClangTidy.cmake
lib/cmake/CompilerFlags.cmake
lib/cmake/FindPythonLibsNew.cmake
lib/cmake/FindSphinx.cmake
lib/cmake/IncludeWhatYouUse.cmake
lib/cmake/InitRules.cmake
lib/cmake/ParseArguments.cmake
lib/cmake/chemfiles-config-version.cmake.in
lib/cmake/chemfiles-config.cmake.in
lib/cmake/chemfiles-iwyu.imp
lib/cmake/thread_local.cpp
lib/cmake/uninstall.in.cmake
lib/cmake/CheckCompilerFlags/CMakeCheckCompilerFlagCommonPatterns.cmake
lib/cmake/CheckCompilerFlags/CheckCompilerFlag.cmake
lib/cmake/CheckCompilerFlags/CheckSourceCompiles.cmake
lib/examples/CMakeLists.txt
lib/examples/README.md
lib/examples/c/generate.c
lib/examples/c/indexes.c
lib/examples/c/select.c
lib/examples/cpp/generate.cpp
lib/examples/cpp/indexes.cpp
lib/examples/cpp/select.cpp
lib/external/CMakeLists.txt
lib/external/README.md
lib/external/bzip2.tar.gz
lib/external/fmt.tar.gz
lib/external/gemmi.tar.gz
lib/external/lzma.tar.gz
lib/external/mmtf-cpp.tar.gz
lib/external/molfiles.tar.gz
lib/external/pugixml.tar.gz
lib/external/tng.tar.gz
lib/external/toml11.tar.gz
lib/external/zlib.tar.gz
lib/include/chemfiles.h
lib/include/chemfiles.hpp
lib/include/chemfiles/Atom.hpp
lib/include/chemfiles/Configuration.hpp
lib/include/chemfiles/Connectivity.hpp
lib/include/chemfiles/Error.hpp
lib/include/chemfiles/File.hpp
lib/include/chemfiles/Format.hpp
lib/include/chemfiles/FormatFactory.hpp
lib/include/chemfiles/FormatMetadata.hpp
lib/include/chemfiles/Frame.hpp
lib/include/chemfiles/Property.hpp
lib/include/chemfiles/Residue.hpp
lib/include/chemfiles/Selection.hpp
lib/include/chemfiles/Topology.hpp
lib/include/chemfiles/Trajectory.hpp
lib/include/chemfiles/UnitCell.hpp
lib/include/chemfiles/config.in.h
lib/include/chemfiles/cpp14.hpp
lib/include/chemfiles/error_fmt.hpp
lib/include/chemfiles/misc.hpp
lib/include/chemfiles/mutex.hpp
lib/include/chemfiles/parse.hpp
lib/include/chemfiles/pdb_connectivity.hpp
lib/include/chemfiles/periodic_table.hpp
lib/include/chemfiles/sorted_set.hpp
lib/include/chemfiles/string_view.hpp
lib/include/chemfiles/types.hpp
lib/include/chemfiles/unreachable.hpp
lib/include/chemfiles/utils.hpp
lib/include/chemfiles/warnings.hpp
lib/include/chemfiles/capi/atom.h
lib/include/chemfiles/capi/cell.h
lib/include/chemfiles/capi/frame.h
lib/include/chemfiles/capi/misc.h
lib/include/chemfiles/capi/property.h
lib/include/chemfiles/capi/residue.h
lib/include/chemfiles/capi/selection.h
lib/include/chemfiles/capi/shared_allocator.hpp
lib/include/chemfiles/capi/topology.h
lib/include/chemfiles/capi/trajectory.h
lib/include/chemfiles/capi/types.h
lib/include/chemfiles/capi/utils.hpp
lib/include/chemfiles/external/optional.hpp
lib/include/chemfiles/external/span.hpp
lib/include/chemfiles/external/string_view.hpp
lib/include/chemfiles/files/BinaryFile.hpp
lib/include/chemfiles/files/Bz2File.hpp
lib/include/chemfiles/files/GzFile.hpp
lib/include/chemfiles/files/MemoryBuffer.hpp
lib/include/chemfiles/files/MemoryFile.hpp
lib/include/chemfiles/files/Netcdf3File.hpp
lib/include/chemfiles/files/PlainFile.hpp
lib/include/chemfiles/files/TNGFile.hpp
lib/include/chemfiles/files/XDRFile.hpp
lib/include/chemfiles/files/XzFile.hpp
lib/include/chemfiles/formats/AmberNetCDF.hpp
lib/include/chemfiles/formats/CIF.hpp
lib/include/chemfiles/formats/CML.hpp
lib/include/chemfiles/formats/CSSR.hpp
lib/include/chemfiles/formats/DCD.hpp
lib/include/chemfiles/formats/GRO.hpp
lib/include/chemfiles/formats/LAMMPSData.hpp
lib/include/chemfiles/formats/LAMMPSTrajectory.hpp
lib/include/chemfiles/formats/MMTF.hpp
lib/include/chemfiles/formats/MOL2.hpp
lib/include/chemfiles/formats/Molfile.hpp
lib/include/chemfiles/formats/PDB.hpp
lib/include/chemfiles/formats/SDF.hpp
lib/include/chemfiles/formats/SMI.hpp
lib/include/chemfiles/formats/TNG.hpp
lib/include/chemfiles/formats/TPR.hpp
lib/include/chemfiles/formats/TRR.hpp
lib/include/chemfiles/formats/Tinker.hpp
lib/include/chemfiles/formats/XTC.hpp
lib/include/chemfiles/formats/XYZ.hpp
lib/include/chemfiles/formats/mmCIF.hpp
lib/include/chemfiles/selections/NumericValues.hpp
lib/include/chemfiles/selections/expr.hpp
lib/include/chemfiles/selections/lexer.hpp
lib/include/chemfiles/selections/parser.hpp
lib/scripts/ci/build-docs.sh
lib/scripts/ci/check-exported-symbols.py
lib/scripts/generate/pdb_connectivity.py
lib/scripts/generate/periodic_table.py
lib/src/Atom.cpp
lib/src/Configuration.cpp
lib/src/Connectivity.cpp
lib/src/File.cpp
lib/src/Format.cpp
lib/src/FormatFactory.cpp
lib/src/FormatMetadata.cpp
lib/src/Frame.cpp
lib/src/Property.cpp
lib/src/Residue.cpp
lib/src/Selection.cpp
lib/src/Topology.cpp
lib/src/Trajectory.cpp
lib/src/UnitCell.cpp
lib/src/guess_format.cpp
lib/src/parse.cpp
lib/src/pdb_connectivity.cpp
lib/src/periodic_table.cpp
lib/src/utils.cpp
lib/src/warnings.cpp
lib/src/capi/atom.cpp
lib/src/capi/cell.cpp
lib/src/capi/frame.cpp
lib/src/capi/misc.cpp
lib/src/capi/property.cpp
lib/src/capi/residue.cpp
lib/src/capi/selection.cpp
lib/src/capi/shared_allocator.cpp
lib/src/capi/topology.cpp
lib/src/capi/trajectory.cpp
lib/src/files/BinaryFile.cpp
lib/src/files/Bz2File.cpp
lib/src/files/GzFile.cpp
lib/src/files/MemoryBuffer.cpp
lib/src/files/MemoryFile.cpp
lib/src/files/Netcdf3File.cpp
lib/src/files/PlainFile.cpp
lib/src/files/TNGFile.cpp
lib/src/files/XDRFile.cpp
lib/src/files/XzFile.cpp
lib/src/formats/AmberNetCDF.cpp
lib/src/formats/CIF.cpp
lib/src/formats/CML.cpp
lib/src/formats/CSSR.cpp
lib/src/formats/DCD.cpp
lib/src/formats/GRO.cpp
lib/src/formats/LAMMPSData.cpp
lib/src/formats/LAMMPSTrajectory.cpp
lib/src/formats/MMTF.cpp
lib/src/formats/MOL2.cpp
lib/src/formats/Molfile.cpp
lib/src/formats/PDB.cpp
lib/src/formats/SDF.cpp
lib/src/formats/SMI.cpp
lib/src/formats/TNG.cpp
lib/src/formats/TPR.cpp
lib/src/formats/TRR.cpp
lib/src/formats/Tinker.cpp
lib/src/formats/XTC.cpp
lib/src/formats/XYZ.cpp
lib/src/formats/mmCIF.cpp
lib/src/selections/NumericValues.cpp
lib/src/selections/expr.cpp
lib/src/selections/lexer.cpp
lib/src/selections/parser.cpp
src/chemfiles/__init__.py
src/chemfiles/_c_api.py
src/chemfiles/_c_lib.py
src/chemfiles/atom.py
src/chemfiles/cell.py
src/chemfiles/frame.py
src/chemfiles/misc.py
src/chemfiles/property.py
src/chemfiles/residue.py
src/chemfiles/selection.py
src/chemfiles/topology.py
src/chemfiles/trajectory.py
src/chemfiles/utils.py
src/chemfiles.egg-info/PKG-INFO
src/chemfiles.egg-info/SOURCES.txt
src/chemfiles.egg-info/dependency_links.txt
src/chemfiles.egg-info/not-zip-safe
src/chemfiles.egg-info/requires.txt
src/chemfiles.egg-info/top_level.txt