CMakeLists.txt
README.md
changelog.md
license.md
pyproject.toml
setup.cfg
setup.manifest
setup.py
cppcore/CMakeLists.txt
cppcore/cmake/download.cmake
cppcore/cmake/fmt.cmake
cppcore/cmake/mkl.cmake
cppcore/cmake/warnings.cmake
cppcore/cuda/CMakeLists.txt
cppcore/cuda/thrust.hpp
cppcore/cuda/traits.cuh
cppcore/cuda/kpm/calc_moments.cu
cppcore/cuda/kpm/calc_moments.hpp
cppcore/include/KPM.hpp
cppcore/include/Lattice.hpp
cppcore/include/Model.hpp
cppcore/include/compute/detail.hpp
cppcore/include/compute/kernel_polynomial.hpp
cppcore/include/compute/lanczos.hpp
cppcore/include/compute/eigen3/lanczos.hpp
cppcore/include/compute/mkl/lanczos.hpp
cppcore/include/compute/mkl/wrapper.hpp
cppcore/include/detail/algorithm.hpp
cppcore/include/detail/config.hpp
cppcore/include/detail/macros.hpp
cppcore/include/detail/opaque_alias.hpp
cppcore/include/detail/slice.hpp
cppcore/include/detail/strategy.hpp
cppcore/include/detail/sugar.hpp
cppcore/include/detail/thread.hpp
cppcore/include/detail/typelist.hpp
cppcore/include/hamiltonian/Hamiltonian.hpp
cppcore/include/hamiltonian/HamiltonianModifiers.hpp
cppcore/include/kpm/Bounds.hpp
cppcore/include/kpm/Config.hpp
cppcore/include/kpm/Core.hpp
cppcore/include/kpm/Kernel.hpp
cppcore/include/kpm/Moments.hpp
cppcore/include/kpm/OptimizedHamiltonian.hpp
cppcore/include/kpm/Starter.hpp
cppcore/include/kpm/Stats.hpp
cppcore/include/kpm/calc_moments.hpp
cppcore/include/kpm/reconstruct.hpp
cppcore/include/kpm/default/Compute.hpp
cppcore/include/kpm/default/collectors.hpp
cppcore/include/leads/HamiltonianPair.hpp
cppcore/include/leads/Leads.hpp
cppcore/include/leads/Spec.hpp
cppcore/include/leads/Structure.hpp
cppcore/include/numeric/arrayref.hpp
cppcore/include/numeric/constant.hpp
cppcore/include/numeric/dense.hpp
cppcore/include/numeric/ellmatrix.hpp
cppcore/include/numeric/random.hpp
cppcore/include/numeric/sparse.hpp
cppcore/include/numeric/sparseref.hpp
cppcore/include/numeric/traits.hpp
cppcore/include/solver/FEAST.hpp
cppcore/include/solver/Solver.hpp
cppcore/include/support/cppfuture.hpp
cppcore/include/support/format.hpp
cppcore/include/support/simd.hpp
cppcore/include/support/variant.hpp
cppcore/include/system/CompressedSublattices.hpp
cppcore/include/system/Foundation.hpp
cppcore/include/system/HoppingBlocks.hpp
cppcore/include/system/Registry.hpp
cppcore/include/system/Shape.hpp
cppcore/include/system/StructureModifiers.hpp
cppcore/include/system/Symmetry.hpp
cppcore/include/system/System.hpp
cppcore/include/utils/Chrono.hpp
cppcore/src/KPM.cpp
cppcore/src/Lattice.cpp
cppcore/src/Model.cpp
cppcore/src/hamiltonian/Hamiltonian.cpp
cppcore/src/hamiltonian/HamiltonianModifiers.cpp
cppcore/src/kpm/Bounds.cpp
cppcore/src/kpm/Core.cpp
cppcore/src/kpm/Kernel.cpp
cppcore/src/kpm/Moments.cpp
cppcore/src/kpm/OptimizedHamiltonian.cpp
cppcore/src/kpm/Starter.cpp
cppcore/src/kpm/Stats.cpp
cppcore/src/kpm/default/Compute.cpp
cppcore/src/kpm/default/collectors.cpp
cppcore/src/leads/Leads.cpp
cppcore/src/leads/Spec.cpp
cppcore/src/leads/Structure.cpp
cppcore/src/solver/FEAST.cpp
cppcore/src/solver/Solver.cpp
cppcore/src/system/CompressedSublattices.cpp
cppcore/src/system/Foundation.cpp
cppcore/src/system/HoppingBlocks.cpp
cppcore/src/system/Registry.cpp
cppcore/src/system/Shape.cpp
cppcore/src/system/StructureModifiers.cpp
cppcore/src/system/Symmetry.cpp
cppcore/src/system/System.cpp
cppcore/src/utils/Chrono.cpp
cppcore/tests/CMakeLists.txt
cppcore/tests/catch.cpp
cppcore/tests/fixtures.cpp
cppcore/tests/fixtures.hpp
cppcore/tests/test_compute.cpp
cppcore/tests/test_detail.cpp
cppcore/tests/test_kpm.cpp
cppcore/tests/test_lattice.cpp
cppcore/tests/test_leads.cpp
cppcore/tests/test_modifiers.cpp
cppcore/tests/test_numeric.cpp
cppcore/tests/test_shape.cpp
cppcore/tests/test_system.cpp
cppmodule/CMakeLists.txt
cppmodule/deps/pybind11/CMakeLists.txt
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cppmodule/deps/pybind11/include/pybind11/buffer_info.h
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cppmodule/deps/pybind11/include/pybind11/chrono.h
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cppmodule/deps/pybind11/include/pybind11/complex.h
cppmodule/deps/pybind11/include/pybind11/eigen.h
cppmodule/deps/pybind11/include/pybind11/embed.h
cppmodule/deps/pybind11/include/pybind11/eval.h
cppmodule/deps/pybind11/include/pybind11/functional.h
cppmodule/deps/pybind11/include/pybind11/gil.h
cppmodule/deps/pybind11/include/pybind11/gil_safe_call_once.h
cppmodule/deps/pybind11/include/pybind11/iostream.h
cppmodule/deps/pybind11/include/pybind11/numpy.h
cppmodule/deps/pybind11/include/pybind11/operators.h
cppmodule/deps/pybind11/include/pybind11/options.h
cppmodule/deps/pybind11/include/pybind11/pybind11.h
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cppmodule/deps/pybind11/include/pybind11/stl.h
cppmodule/deps/pybind11/include/pybind11/stl_bind.h
cppmodule/deps/pybind11/include/pybind11/type_caster_pyobject_ptr.h
cppmodule/deps/pybind11/include/pybind11/typing.h
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cppmodule/deps/pybind11/include/pybind11/detail/common.h
cppmodule/deps/pybind11/include/pybind11/detail/descr.h
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cppmodule/deps/pybind11/include/pybind11/detail/internals.h
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cppmodule/deps/pybind11/include/pybind11/detail/typeid.h
cppmodule/deps/pybind11/include/pybind11/eigen/common.h
cppmodule/deps/pybind11/include/pybind11/eigen/matrix.h
cppmodule/deps/pybind11/include/pybind11/eigen/tensor.h
cppmodule/deps/pybind11/include/pybind11/stl/filesystem.h
cppmodule/deps/pybind11/tests/CMakeLists.txt
cppmodule/deps/pybind11/tests/test_cmake_build/CMakeLists.txt
cppmodule/deps/pybind11/tests/test_cmake_build/installed_embed/CMakeLists.txt
cppmodule/deps/pybind11/tests/test_cmake_build/installed_function/CMakeLists.txt
cppmodule/deps/pybind11/tests/test_cmake_build/installed_target/CMakeLists.txt
cppmodule/deps/pybind11/tests/test_cmake_build/subdirectory_embed/CMakeLists.txt
cppmodule/deps/pybind11/tests/test_cmake_build/subdirectory_function/CMakeLists.txt
cppmodule/deps/pybind11/tests/test_cmake_build/subdirectory_target/CMakeLists.txt
cppmodule/deps/pybind11/tests/test_embed/CMakeLists.txt
cppmodule/deps/pybind11/tools/FindCatch.cmake
cppmodule/deps/pybind11/tools/FindEigen3.cmake
cppmodule/deps/pybind11/tools/FindPythonLibsNew.cmake
cppmodule/deps/pybind11/tools/JoinPaths.cmake
cppmodule/deps/pybind11/tools/pybind11Common.cmake
cppmodule/deps/pybind11/tools/pybind11GuessPythonExtSuffix.cmake
cppmodule/deps/pybind11/tools/pybind11NewTools.cmake
cppmodule/deps/pybind11/tools/pybind11Tools.cmake
cppmodule/deps/pybind11/tools/test-pybind11GuessPythonExtSuffix.cmake
cppmodule/include/cast.hpp
cppmodule/include/resolve.hpp
cppmodule/include/thread.hpp
cppmodule/include/wrappers.hpp
cppmodule/src/kpm.cpp
cppmodule/src/lattice.cpp
cppmodule/src/leads.cpp
cppmodule/src/main.cpp
cppmodule/src/model.cpp
cppmodule/src/modifiers.cpp
cppmodule/src/parallel.cpp
cppmodule/src/shape.cpp
cppmodule/src/solver.cpp
cppmodule/src/system.cpp
cppmodule/src/wrapper_tests.cpp
docs/CMakeLists.txt
docs/api.rst
docs/conf.py
docs/index.rst
docs/intro.rst
docs/pb.png
docs/readme.md
docs/test_examples.py
docs/_ext/generate.py
docs/_ext/nbexport.py
docs/_static/extra.css
docs/_templates/autosummary/class.rst
docs/_templates/autosummary/function.rst
docs/_templates/autosummary/module.rst
docs/advanced/index.rst
docs/advanced/kwant.rst
docs/advanced/kwant_example.py
docs/advanced/lattice.rst
docs/advanced/multiorbital.rst
docs/advanced/shapes.rst
docs/benchmarks/index.rst
docs/benchmarks/system_build.png
docs/benchmarks/system_build.py
docs/examples/index.rst
docs/examples/finite/index.rst
docs/examples/finite/line.py
docs/examples/finite/shapes.py
docs/examples/lattice/bilayer_graphene.py
docs/examples/lattice/checkerboard.py
docs/examples/lattice/index.rst
docs/examples/lattice/monolayer_graphene.py
docs/examples/lattice/monolayer_graphene_nn.py
docs/examples/lattice/monolayer_graphene_soc.py
docs/examples/lattice/phosphorene.py
docs/examples/lattice/trestle.py
docs/examples/ribbons/bilayer_graphene.py
docs/examples/ribbons/index.rst
docs/experimental/cuda.rst
docs/experimental/feast.rst
docs/experimental/index.rst
docs/install/advanced.rst
docs/install/index.rst
docs/install/quick.rst
docs/materials/graphene.rst
docs/materials/group6_tmd.rst
docs/materials/index.rst
docs/materials/phosphorene.rst
docs/plotting/index.rst
docs/plotting/structure.rst
docs/plotting/structuremap.rst
docs/tutorial/bands.rst
docs/tutorial/bands_example.py
docs/tutorial/fields.rst
docs/tutorial/fields_example.py
docs/tutorial/finite.rst
docs/tutorial/finite_example.py
docs/tutorial/generators.rst
docs/tutorial/import.rst
docs/tutorial/index.rst
docs/tutorial/kpm.rst
docs/tutorial/lattice.rst
docs/tutorial/lattice_example.py
docs/tutorial/scattering.rst
docs/tutorial/shape_symmetry.rst
docs/tutorial/shape_symmetry_example.py
docs/tutorial/solvers.rst
docs/tutorial/strain.rst
docs/tutorial/strain_example.py
docs/tutorial/twisted_heterostructures.py
docs/tutorial/wavefunction.rst
pybinding/__init__.py
pybinding/berry.py
pybinding/chebyshev.py
pybinding/constants.py
pybinding/disentangle.py
pybinding/greens.py
pybinding/lattice.py
pybinding/leads.py
pybinding/model.py
pybinding/modifier.py
pybinding/parallel.py
pybinding/shape.py
pybinding/solver.py
pybinding/system.py
pybinding/wannier.py
pybinding/repository/__init__.py
pybinding/repository/examples.py
pybinding/repository/group6_tmd.py
pybinding/repository/phosphorene.py
pybinding/repository/graphene/__init__.py
pybinding/repository/graphene/constants.py
pybinding/repository/graphene/lattice.py
pybinding/repository/graphene/modifiers.py
pybinding/repository/graphene/shape.py
pybinding/repository/graphene/utils.py
pybinding/results/__init__.py
pybinding/results/bands.py
pybinding/results/path.py
pybinding/results/series.py
pybinding/results/spatial.py
pybinding/results/sweep.py
pybinding/results/wavefuction.py
pybinding/support/__init__.py
pybinding/support/alias.py
pybinding/support/collections.py
pybinding/support/deprecated.py
pybinding/support/fuzzy_set.py
pybinding/support/inspect.py
pybinding/support/kwant.py
pybinding/support/parse.py
pybinding/support/pickle.py
pybinding/support/structure.py
pybinding/utils/__init__.py
pybinding/utils/cpuinfo.py
pybinding/utils/misc.py
pybinding/utils/pltutils.py
pybinding/utils/progressbar.py
pybinding/utils/time.py
pybinding_dev.egg-info/PKG-INFO
pybinding_dev.egg-info/SOURCES.txt
pybinding_dev.egg-info/dependency_links.txt
pybinding_dev.egg-info/requires.txt
pybinding_dev.egg-info/top_level.txt
tests/__init__.py
tests/conftest.py
tests/local.cfg
tests/test_kpm.py
tests/test_kwant.py
tests/test_lattice.py
tests/test_leads.py
tests/test_model.py
tests/test_modifiers.py
tests/test_parallel.py
tests/test_pickle.py
tests/test_results.py
tests/test_shape.py
tests/test_solver.py
tests/test_system.py
tests/test_wrapper.py
tests/baseline_data/kpm/conductivity[graphene-const_potential].pbz
tests/baseline_data/kpm/conductivity[graphene-magnetic_field].pbz
tests/baseline_data/kpm/dos[graphene-const_potential].pbz
tests/baseline_data/kpm/dos[graphene-magnetic_field].pbz
tests/baseline_data/kpm/ldos[graphene-const_potential].pbz
tests/baseline_data/kpm/ldos[graphene-magnetic_field].pbz
tests/baseline_data/kpm/ldos[graphene-pristine-oversized].pbz
tests/baseline_data/kpm/ldos[graphene-pristine].pbz
tests/baseline_data/kpm/ldos[mos2].pbz
tests/baseline_data/lattice/expected[graphene-bilayer].pbz
tests/baseline_data/lattice/expected[graphene-monolayer-4atom].pbz
tests/baseline_data/lattice/expected[graphene-monolayer-nn].pbz
tests/baseline_data/lattice/expected[graphene-monolayer].pbz
tests/baseline_data/parallel/ndsweep.pbz
tests/baseline_data/parallel/sweep.pbz
tests/baseline_data/shape/freeform.pbz
tests/baseline_data/shape/polygon_expected[diamond].pbz
tests/baseline_data/shape/polygon_expected[pentagon].pbz
tests/baseline_data/shape/polygon_expected[square].pbz
tests/baseline_data/shape/polygon_expected[triangle90].pbz
tests/baseline_data/shape/polygon_expected[triangle].pbz
tests/baseline_data/solver/dos[arpack-graphene-magnetic_field].pbz
tests/baseline_data/solver/dos[feast-graphene-magnetic_field].pbz
tests/baseline_data/solver/eigenvalues[arpack-graphene-magnetic_field].pbz
tests/baseline_data/solver/eigenvalues[feast-graphene-magnetic_field].pbz
tests/baseline_data/solver/lapack.pbz
tests/baseline_data/solver/spatial_ldos[arpack-graphene-magnetic_field].pbz
tests/baseline_data/solver/spatial_ldos[feast-graphene-magnetic_field].pbz
tests/baseline_data/system/expected[graphene-bilayer].pbz
tests/baseline_data/system/expected[graphene-monolayer-4atom-periodic-2d].pbz
tests/baseline_data/system/expected[graphene-monolayer-4atom].pbz
tests/baseline_data/system/expected[graphene-monolayer-alt].pbz
tests/baseline_data/system/expected[graphene-monolayer-nn].pbz
tests/baseline_data/system/expected[graphene-monolayer-periodic-1d-alt].pbz
tests/baseline_data/system/expected[graphene-monolayer-periodic-1d].pbz
tests/baseline_data/system/expected[graphene-monolayer-periodic-2d].pbz
tests/baseline_data/system/expected[graphene-monolayer].pbz
tests/baseline_plots/results/structure_map_plot.png
tests/baseline_plots/system/system_plot.png
tests/utils/__init__.py
tests/utils/compare_figures.py
tests/utils/fuzzy_equal.py
tests/utils/path.py