├── .appveyor.yml ├── .gitattributes ├── .gitignore ├── .gitmodules ├── .readthedocs.yml ├── .travis.yml ├── CMakeLists.txt ├── changelog.md ├── cppcore ├── CMakeLists.txt ├── cmake │ ├── download.cmake │ ├── fmt.cmake │ ├── mkl.cmake │ └── warnings.cmake ├── cuda │ ├── CMakeLists.txt │ ├── kpm │ │ ├── calc_moments.cu │ │ └── calc_moments.hpp │ ├── thrust.hpp │ └── traits.cuh ├── include │ ├── KPM.hpp │ ├── Lattice.hpp │ ├── Model.hpp │ ├── compute │ │ ├── detail.hpp │ │ ├── eigen3 │ │ │ └── lanczos.hpp │ │ ├── kernel_polynomial.hpp │ │ ├── lanczos.hpp │ │ └── mkl │ │ │ ├── lanczos.hpp │ │ │ └── wrapper.hpp │ ├── detail │ │ ├── algorithm.hpp │ │ ├── config.hpp │ │ ├── macros.hpp │ │ ├── opaque_alias.hpp │ │ ├── slice.hpp │ │ ├── strategy.hpp │ │ ├── sugar.hpp │ │ ├── thread.hpp │ │ └── typelist.hpp │ ├── hamiltonian │ │ ├── Hamiltonian.hpp │ │ └── HamiltonianModifiers.hpp │ ├── kpm │ │ ├── Bounds.hpp │ │ ├── Config.hpp │ │ ├── Core.hpp │ │ ├── Kernel.hpp │ │ ├── Moments.hpp │ │ ├── OptimizedHamiltonian.hpp │ │ ├── Starter.hpp │ │ ├── Stats.hpp │ │ ├── calc_moments.hpp │ │ ├── default │ │ │ ├── Compute.hpp │ │ │ └── collectors.hpp │ │ └── reconstruct.hpp │ ├── leads │ │ ├── HamiltonianPair.hpp │ │ ├── Leads.hpp │ │ ├── Spec.hpp │ │ └── Structure.hpp │ ├── numeric │ │ ├── arrayref.hpp │ │ ├── constant.hpp │ │ ├── dense.hpp │ │ ├── ellmatrix.hpp │ │ ├── random.hpp │ │ ├── sparse.hpp │ │ ├── sparseref.hpp │ │ └── traits.hpp │ ├── solver │ │ ├── FEAST.hpp │ │ └── Solver.hpp │ ├── support │ │ ├── cppfuture.hpp │ │ ├── format.hpp │ │ ├── simd.hpp │ │ └── variant.hpp │ ├── system │ │ ├── CompressedSublattices.hpp │ │ ├── Foundation.hpp │ │ ├── HoppingBlocks.hpp │ │ ├── Registry.hpp │ │ ├── Shape.hpp │ │ ├── StructureModifiers.hpp │ │ ├── Symmetry.hpp │ │ └── System.hpp │ └── utils │ │ └── Chrono.hpp ├── src │ ├── KPM.cpp │ ├── Lattice.cpp │ ├── Model.cpp │ ├── hamiltonian │ │ ├── Hamiltonian.cpp │ │ └── HamiltonianModifiers.cpp │ ├── kpm │ │ ├── Bounds.cpp │ │ ├── Core.cpp │ │ ├── Kernel.cpp │ │ ├── Moments.cpp │ │ ├── OptimizedHamiltonian.cpp │ │ ├── Starter.cpp │ │ ├── Stats.cpp │ │ └── default │ │ │ ├── Compute.cpp │ │ │ └── collectors.cpp │ ├── leads │ │ ├── Leads.cpp │ │ ├── Spec.cpp │ │ └── Structure.cpp │ ├── solver │ │ ├── FEAST.cpp │ │ └── Solver.cpp │ ├── system │ │ ├── CompressedSublattices.cpp │ │ ├── Foundation.cpp │ │ ├── HoppingBlocks.cpp │ │ ├── Registry.cpp │ │ ├── Shape.cpp │ │ ├── StructureModifiers.cpp │ │ ├── Symmetry.cpp │ │ └── System.cpp │ └── utils │ │ └── Chrono.cpp └── tests │ ├── CMakeLists.txt │ ├── catch.cpp │ ├── fixtures.cpp │ ├── fixtures.hpp │ ├── test_compute.cpp │ ├── test_detail.cpp │ ├── test_kpm.cpp │ ├── test_lattice.cpp │ ├── test_leads.cpp │ ├── test_modifiers.cpp │ ├── test_numeric.cpp │ ├── test_shape.cpp │ └── test_system.cpp ├── cppmodule ├── CMakeLists.txt ├── include │ ├── cast.hpp │ ├── resolve.hpp │ ├── thread.hpp │ └── wrappers.hpp └── src │ ├── kpm.cpp │ ├── lattice.cpp │ ├── leads.cpp │ ├── main.cpp │ ├── model.cpp │ ├── modifiers.cpp │ ├── parallel.cpp │ ├── shape.cpp │ ├── solver.cpp │ ├── system.cpp │ └── wrapper_tests.cpp ├── docs ├── CMakeLists.txt ├── _ext │ ├── generate.py │ └── nbexport.py ├── _static │ └── extra.css ├── _templates │ └── autosummary │ │ ├── class.rst │ │ ├── function.rst │ │ └── module.rst ├── advanced │ ├── index.rst │ ├── kwant.rst │ ├── kwant_example.py │ ├── lattice.rst │ ├── multiorbital.rst │ └── shapes.rst ├── api.rst ├── benchmarks │ ├── index.rst │ ├── system_build.png │ └── system_build.py ├── conf.py ├── examples │ ├── finite │ │ ├── index.rst │ │ ├── line.py │ │ └── shapes.py │ ├── index.rst │ ├── lattice │ │ ├── bilayer_graphene.py │ │ ├── checkerboard.py │ │ ├── index.rst │ │ ├── monolayer_graphene.py │ │ ├── monolayer_graphene_nn.py │ │ ├── monolayer_graphene_soc.py │ │ ├── phosphorene.py │ │ └── trestle.py │ └── ribbons │ │ ├── bilayer_graphene.py │ │ └── index.rst ├── experimental │ ├── cuda.rst │ ├── feast.rst │ └── index.rst ├── index.rst ├── install │ ├── advanced.rst │ ├── index.rst │ └── quick.rst ├── intro.rst ├── materials │ ├── graphene.rst │ ├── group6_tmd.rst │ ├── index.rst │ └── phosphorene.rst ├── pb.png ├── plotting │ ├── index.rst │ ├── structure.rst │ └── structuremap.rst ├── readme.md ├── test_examples.py └── tutorial │ ├── bands.rst │ ├── bands_example.py │ ├── fields.rst │ ├── fields_example.py │ ├── finite.rst │ ├── finite_example.py │ ├── generators.rst │ ├── import.rst │ ├── index.rst │ ├── kpm.rst │ ├── lattice.rst │ ├── lattice_example.py │ ├── scattering.rst │ ├── shape_symmetry.rst │ ├── shape_symmetry_example.py │ ├── solvers.rst │ ├── strain.rst │ ├── strain_example.py │ └── twisted_heterostructures.py ├── license.md ├── pybinding ├── __about__.py ├── __init__.py ├── chebyshev.py ├── constants.py ├── greens.py ├── lattice.py ├── leads.py ├── model.py ├── modifier.py ├── parallel.py ├── pltutils.py ├── repository │ ├── __init__.py │ ├── examples.py │ ├── graphene │ │ ├── __init__.py │ │ ├── constants.py │ │ ├── lattice.py │ │ ├── modifiers.py │ │ ├── shape.py │ │ └── utils.py │ ├── group6_tmd.py │ └── phosphorene.py ├── results.py ├── shape.py ├── solver.py ├── support │ ├── __init__.py │ ├── alias.py │ ├── collections.py │ ├── deprecated.py │ ├── fuzzy_set.py │ ├── inspect.py │ ├── kwant.py │ ├── pickle.py │ └── structure.py ├── system.py └── utils │ ├── __init__.py │ ├── cpuinfo.py │ ├── misc.py │ ├── progressbar.py │ └── time.py ├── readme.md ├── setup.cfg ├── setup.manifest ├── setup.py ├── support ├── deploy.sh ├── readme.md └── rtd_requirements.txt └── tests ├── __init__.py ├── baseline_data ├── kpm │ ├── conductivity[graphene-const_potential].pbz │ ├── conductivity[graphene-magnetic_field].pbz │ ├── dos[graphene-const_potential].pbz │ ├── dos[graphene-magnetic_field].pbz │ ├── ldos[graphene-const_potential].pbz │ ├── ldos[graphene-magnetic_field].pbz │ ├── ldos[graphene-pristine-oversized].pbz │ ├── ldos[graphene-pristine].pbz │ └── ldos[mos2].pbz ├── lattice │ ├── expected[graphene-bilayer].pbz │ ├── expected[graphene-monolayer-4atom].pbz │ ├── expected[graphene-monolayer-nn].pbz │ └── expected[graphene-monolayer].pbz ├── parallel │ ├── ndsweep.pbz │ └── sweep.pbz ├── shape │ ├── freeform.pbz │ ├── polygon_expected[diamond].pbz │ ├── polygon_expected[pentagon].pbz │ ├── polygon_expected[square].pbz │ ├── polygon_expected[triangle90].pbz │ └── polygon_expected[triangle].pbz ├── solver │ ├── dos[arpack-graphene-magnetic_field].pbz │ ├── dos[feast-graphene-magnetic_field].pbz │ ├── eigenvalues[arpack-graphene-magnetic_field].pbz │ ├── eigenvalues[feast-graphene-magnetic_field].pbz │ ├── lapack.pbz │ ├── spatial_ldos[arpack-graphene-magnetic_field].pbz │ └── spatial_ldos[feast-graphene-magnetic_field].pbz └── system │ ├── expected[graphene-bilayer].pbz │ ├── expected[graphene-monolayer-4atom-periodic-2d].pbz │ ├── expected[graphene-monolayer-4atom].pbz │ ├── expected[graphene-monolayer-alt].pbz │ ├── expected[graphene-monolayer-nn].pbz │ ├── 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