165 lines
6.5 KiB
Plaintext
165 lines
6.5 KiB
Plaintext
bin/atom
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bin/hydrogen
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bin/sirius.scf
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bin/unit_cell_tools
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bin/upf1_to_json.py
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bin/upf2_to_json.py
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bin/upf_to_json
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bin/upf_to_json.py
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include/sirius/input_schema.hpp
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include/sirius/sirius.mod
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include/sirius/src/SDDK/dmatrix.hpp
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include/sirius/src/SDDK/fft.hpp
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include/sirius/src/SDDK/fft3d_grid.hpp
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include/sirius/src/SDDK/geometry3d.hpp
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include/sirius/src/SDDK/gvec.hpp
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include/sirius/src/SDDK/hdf5_tree.hpp
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include/sirius/src/SDDK/matrix_storage.hpp
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include/sirius/src/SDDK/memory.hpp
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include/sirius/src/SDDK/omp.hpp
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include/sirius/src/SDDK/serialize_mdarray.hpp
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include/sirius/src/SDDK/serializer.hpp
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include/sirius/src/SDDK/splindex.hpp
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include/sirius/src/SDDK/type_definition.hpp
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include/sirius/src/SDDK/wave_functions.hpp
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include/sirius/src/SDDK/wf_inner.hpp
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include/sirius/src/SDDK/wf_ortho.hpp
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include/sirius/src/SDDK/wf_trans.hpp
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include/sirius/src/_header_file_template.hpp
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include/sirius/src/api/error_codes.hpp
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include/sirius/src/band/band.hpp
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include/sirius/src/band/davidson.hpp
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include/sirius/src/band/residuals.hpp
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include/sirius/src/beta_projectors/beta_projectors.hpp
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include/sirius/src/beta_projectors/beta_projectors_base.hpp
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include/sirius/src/beta_projectors/beta_projectors_gradient.hpp
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include/sirius/src/beta_projectors/beta_projectors_strain_deriv.hpp
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include/sirius/src/constants.hpp
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include/sirius/src/context/config.hpp
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include/sirius/src/context/simulation_context.hpp
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include/sirius/src/context/simulation_parameters.hpp
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include/sirius/src/density/augmentation_operator.hpp
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include/sirius/src/density/density.hpp
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include/sirius/src/density/occupation_matrix.hpp
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include/sirius/src/density/paw_density.hpp
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include/sirius/src/dft/dft_ground_state.hpp
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include/sirius/src/dft/energy.hpp
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include/sirius/src/dft/smearing.hpp
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include/sirius/src/function3d/field4d.hpp
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include/sirius/src/function3d/periodic_function.hpp
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include/sirius/src/function3d/smooth_periodic_function.hpp
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include/sirius/src/function3d/spheric_function.hpp
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include/sirius/src/geometry/force.hpp
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include/sirius/src/geometry/non_local_functor.hpp
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include/sirius/src/geometry/stress.hpp
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include/sirius/src/geometry/wavefunction_strain_deriv.hpp
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include/sirius/src/gpu/acc.hpp
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include/sirius/src/gpu/acc_blas.hpp
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include/sirius/src/gpu/acc_blas_api.hpp
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include/sirius/src/gpu/acc_runtime.hpp
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include/sirius/src/gpu/cuda_common.hpp
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include/sirius/src/gpu/cuda_timer.hpp
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include/sirius/src/gpu/cusolver.hpp
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include/sirius/src/gpu/fft_kernels.hpp
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include/sirius/src/gpu/magma.hpp
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include/sirius/src/gpu/magma_threadsetting.h
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include/sirius/src/hamiltonian/hamiltonian.hpp
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include/sirius/src/hamiltonian/local_operator.hpp
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include/sirius/src/hamiltonian/non_local_operator.hpp
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include/sirius/src/hubbard/hubbard.hpp
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include/sirius/src/hubbard/hubbard_matrix.hpp
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include/sirius/src/k_point/k_point.hpp
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include/sirius/src/k_point/k_point_set.hpp
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include/sirius/src/lapw/matching_coefficients.hpp
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include/sirius/src/linalg/blacs_grid.hpp
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include/sirius/src/linalg/blas_lapack.h
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include/sirius/src/linalg/eigenproblem.hpp
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include/sirius/src/linalg/eigensolver.hpp
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include/sirius/src/linalg/elpa.hpp
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include/sirius/src/linalg/inverse_sqrt.hpp
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include/sirius/src/linalg/linalg.hpp
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include/sirius/src/linalg/linalg_base.hpp
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include/sirius/src/linalg/linalg_spla.hpp
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include/sirius/src/linalg/scalapack.h
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include/sirius/src/mixer/anderson_mixer.hpp
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include/sirius/src/mixer/anderson_stable_mixer.hpp
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include/sirius/src/mixer/broyden2_mixer.hpp
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include/sirius/src/mixer/linear_mixer.hpp
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include/sirius/src/mixer/mixer.hpp
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include/sirius/src/mixer/mixer_factory.hpp
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include/sirius/src/mixer/mixer_functions.hpp
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include/sirius/src/mpi/communicator.hpp
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include/sirius/src/mpi/mpi_grid.hpp
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include/sirius/src/multi_cg/multi_cg.hpp
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include/sirius/src/nlcglib/adaptor.hpp
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include/sirius/src/nlcglib/apply_hamiltonian.hpp
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include/sirius/src/potential/potential.hpp
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include/sirius/src/potential/xc_functional.hpp
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include/sirius/src/potential/xc_functional_base.hpp
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include/sirius/src/pseudopotential_hmatrix.hpp
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include/sirius/src/radial/radial_grid.hpp
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include/sirius/src/radial/radial_integrals.hpp
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include/sirius/src/radial/radial_solver.hpp
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include/sirius/src/radial/spline.hpp
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include/sirius/src/sht/gaunt.hpp
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include/sirius/src/sht/lebedev_grids.hpp
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include/sirius/src/sht/sht.hpp
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include/sirius/src/sirius.hpp
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include/sirius/src/sirius_version.hpp
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include/sirius/src/specfunc/sbessel.hpp
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include/sirius/src/specfunc/specfunc.hpp
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include/sirius/src/symmetry/check_gvec.hpp
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include/sirius/src/symmetry/crystal_symmetry.hpp
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include/sirius/src/symmetry/get_irreducible_reciprocal_mesh.hpp
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include/sirius/src/symmetry/lattice.hpp
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include/sirius/src/symmetry/rotation.hpp
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include/sirius/src/symmetry/symmetrize.hpp
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include/sirius/src/testing.hpp
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include/sirius/src/typedefs.hpp
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include/sirius/src/unit_cell/atom.hpp
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include/sirius/src/unit_cell/atom_symmetry_class.hpp
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include/sirius/src/unit_cell/atom_type.hpp
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include/sirius/src/unit_cell/atom_type_base.hpp
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include/sirius/src/unit_cell/atomic_data.hpp
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include/sirius/src/unit_cell/basis_functions_index.hpp
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include/sirius/src/unit_cell/free_atom.hpp
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include/sirius/src/unit_cell/hubbard_orbitals_descriptor.hpp
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include/sirius/src/unit_cell/radial_functions_index.hpp
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include/sirius/src/unit_cell/unit_cell.hpp
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include/sirius/src/utils/any_ptr.hpp
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include/sirius/src/utils/cmd_args.hpp
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include/sirius/src/utils/env.hpp
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include/sirius/src/utils/filesystem.hpp
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include/sirius/src/utils/json.hpp
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include/sirius/src/utils/nlohmann_json.hpp
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include/sirius/src/utils/nvtx_profiler.hpp
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include/sirius/src/utils/power.hpp
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include/sirius/src/utils/profiler.hpp
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include/sirius/src/utils/rt_graph.hpp
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include/sirius/src/utils/rte.hpp
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include/sirius/src/utils/utils.hpp
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include/sirius/version.hpp
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lib/cmake/sirius/cudalibs_target.cmake
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lib/cmake/sirius/hdf5_target.cmake
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lib/cmake/sirius/modules/FindCRAY_LIBSCI.cmake
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lib/cmake/sirius/modules/FindElpa.cmake
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lib/cmake/sirius/modules/FindFFTW.cmake
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lib/cmake/sirius/modules/FindFilesystem.cmake
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lib/cmake/sirius/modules/FindHIP.cmake
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lib/cmake/sirius/modules/FindHIP/run_hipcc.cmake
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lib/cmake/sirius/modules/FindHIP/run_make2cmake.cmake
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lib/cmake/sirius/modules/FindLibSPG.cmake
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lib/cmake/sirius/modules/FindLibVDWXC.cmake
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lib/cmake/sirius/modules/FindLibXC.cmake
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lib/cmake/sirius/modules/FindMAGMA.cmake
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lib/cmake/sirius/modules/FindMKL.cmake
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lib/cmake/sirius/modules/FindPython2.cmake
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lib/cmake/sirius/modules/FindPythonSupport.cmake
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lib/cmake/sirius/modules/FindSCALAPACK.cmake
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lib/cmake/sirius/modules/Findmpi4py.cmake
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lib/cmake/sirius/modules/GitSubmodule.cmake
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lib/cmake/sirius/siriusConfig.cmake
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lib/cmake/sirius/siriusTargets-%%CMAKE_BUILD_TYPE%%.cmake
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lib/cmake/sirius/siriusTargets.cmake
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lib/libsirius.so
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