├── .clang-format ├── .codecov.yml ├── .github └── workflows │ └── ci.yml ├── .gitignore ├── .gitlab-ci.yml ├── .pre-commit-config.yaml ├── CHANGES ├── CMakeLists.txt ├── INSTALL.md ├── LICENSE ├── NOTES ├── README.md ├── bin ├── admin │ ├── clang-format.sh │ └── dependency-versions-update-hook.py ├── docker-build.sh ├── docker-cuda-build.sh ├── docker-cuda.md ├── docker.md └── generate_answers.ipynb ├── ci ├── .build-project ├── README.md ├── docker-run-ci ├── host_system_info.cmake └── openmpi.env ├── cmake ├── modules │ ├── AddCustomTargetSubproject.cmake │ ├── AddTAExecutable.cmake │ ├── AppendFlags.cmake │ ├── CheckCFortranFunctionExists.cmake │ ├── ConvertIncludesListToCompilerArgs.cmake │ ├── ConvertLibrariesListToCompilerArgs.cmake │ ├── DetectAlignSize.cmake │ ├── DetectAlignSize.cpp │ ├── DetectMADNESSConfig.cmake │ ├── EchoTargetProperty.cmake │ ├── FindEigen3.cmake │ ├── FindOrFetchBTAS.cmake │ ├── FindOrFetchMADWorld.cmake │ ├── FindOrFetchRangeV3.cmake │ ├── FindOrFetchTTG.cmake │ ├── FindOrFetchUmpireCXXAllocator.cmake │ ├── FindPackageRegimport.cmake │ ├── LibFindMacros.cmake │ ├── LoadFetchContent.cmake │ ├── RedefaultableOption.cmake │ └── SanitizeCUDAImplicitDirectories.cmake ├── tiledarray-config.cmake.in └── toolchains │ ├── README.md │ └── travis.cmake ├── doc ├── CMakeLists.txt ├── README.md ├── devsamp │ ├── CMakeLists.txt │ └── wiki │ │ ├── CMakeLists.txt │ │ ├── user-guide-1.cpp │ │ ├── user-guide-1a.cpp │ │ ├── user-guide-1b.cpp │ │ └── user-guide-2.cpp └── dox │ ├── CMakeLists.txt │ ├── README.md │ ├── config │ ├── Doxyfile.in │ ├── addons │ │ ├── bootstrap │ │ │ ├── jquery.smartmenus.bootstrap.css │ │ │ ├── jquery.smartmenus.bootstrap.js │ │ │ └── jquery.smartmenus.bootstrap.min.js │ │ └── keyboard │ │ │ ├── jquery.smartmenus.keyboard.js │ │ │ └── jquery.smartmenus.keyboard.min.js │ ├── customdoxygen.css │ ├── doxy-boot.js │ ├── footer.html │ ├── header.html │ ├── jquery.smartmenus.js │ ├── jquery.smartmenus.min.js │ └── layout.xml │ ├── contrib │ ├── Travis-CI-Administration-Notes.md │ ├── Workflow-Notes.md │ └── top.md │ ├── dev │ ├── Basic-Programming.md │ ├── Customizing-Arrays.md │ ├── Customizing-Expressions.md │ ├── Optimization-Guide.md │ ├── Tutorial-TiledArray-and-Eigen.md │ ├── Tutorial-TiledArray-and-Python.md │ ├── Tutorial-TiledArray-and-ScaLAPACK.md │ └── top.md │ ├── images │ ├── BGQtime_TA_CTF_ScaLAPACK.png │ ├── BlockSparseArray.png │ ├── CoordinateIndex.png │ ├── DenseArray.png │ ├── OrdinalIndex.png │ ├── ZeroArray.png │ ├── ta_logo.png │ ├── ta_logo_med.png │ ├── tiledrange.png │ └── uracil-trimer-ccsd-blueridge-speedup.png │ └── user │ └── top.md ├── examples ├── CMakeLists.txt ├── cc │ ├── CCD_output.txt │ ├── CMakeLists.txt │ ├── README │ ├── ccd.cpp │ ├── ccsd.cpp │ ├── input │ ├── input.meta │ ├── input_data.cpp │ ├── input_data.h │ ├── t1.txt │ └── t2.txt ├── ccsd_spinsplit_batch.out ├── demo │ ├── CMakeLists.txt │ ├── demo.cpp │ └── demo2.cpp ├── device │ ├── CMakeLists.txt │ ├── device_task.cpp │ ├── ta_cc_abcd_device.cpp │ ├── ta_dense_device.cpp │ ├── ta_reduce_device.cpp │ └── ta_vector_device.cpp ├── fock │ ├── CMakeLists.txt │ └── ta_k_build.cpp ├── gemm │ ├── CMakeLists.txt │ ├── README │ ├── block_size_data_process.py │ ├── block_size_scan.sh │ ├── ta_band.cpp │ ├── ta_blas.cpp │ ├── ta_cc_abcd.cpp │ ├── ta_dense.cpp │ ├── ta_dense_asymm.cpp │ ├── ta_dense_nonuniform.cpp │ ├── ta_eigen.cpp │ ├── ta_sparse.cpp │ └── ta_sparse_grow.cpp ├── mpi_tests │ ├── CMakeLists.txt │ ├── mpi_bandwidth.c │ ├── mpi_cuda.cpp │ └── mpi_latency.c ├── pmap_test │ ├── CMakeLists.txt │ ├── README │ └── pmap.cpp ├── scalapack │ ├── CMakeLists.txt │ ├── conversion.cpp │ └── evp.cpp └── vector_tests │ ├── CMakeLists.txt │ ├── ta_vector.cpp │ └── vector.cpp ├── external ├── boost.cmake ├── cuda.cmake ├── eigen.cmake ├── hip.cmake ├── librett.cmake ├── scalapackpp.cmake └── versions.cmake ├── python ├── CMakeLists.txt ├── src │ ├── TiledArray │ │ └── python │ │ │ ├── array.h │ │ │ ├── einsum.h │ │ │ ├── expression.h │ │ │ ├── module.h │ │ │ ├── python.h │ │ │ ├── range.h │ │ │ └── trange.h │ └── tiledarray.cc └── test_tiledarray.py ├── src ├── CMakeLists.txt ├── TiledArray │ ├── array_impl.cpp │ ├── array_impl.h │ ├── bitset.h │ ├── block_range.h │ ├── config.h.in │ ├── conversions │ │ ├── btas.h │ │ ├── clone.h │ │ ├── concat.h │ │ ├── dense_to_sparse.h │ │ ├── eigen.h │ │ ├── foreach.h │ │ ├── make_array.h │ │ ├── retile.h │ │ ├── sparse_to_dense.h │ │ ├── to_new_tile_type.h │ │ ├── truncate.h │ │ └── vector_of_arrays.h │ ├── dense_shape.h │ ├── device │ │ ├── blas.cpp │ │ ├── blas.h │ │ ├── btas.h │ │ ├── btas_um_tensor.cpp │ │ ├── btas_um_tensor.h │ │ ├── cpu_cuda_vector.cu │ │ ├── cpu_cuda_vector.h │ │ ├── device_task_fn.h │ │ ├── kernel │ │ │ ├── mult_kernel.h │ │ │ ├── reduce_kernel.h │ │ │ └── thrust │ │ │ │ ├── mult_kernel.cu │ │ │ │ ├── mult_kernel.h │ │ │ │ ├── mult_kernel.hip │ │ │ │ ├── reduce_kernel.cu │ │ │ │ ├── reduce_kernel.h │ │ │ │ └── reduce_kernel.hip │ │ ├── thrust.h │ │ ├── um_storage.cu │ │ └── um_storage.h │ ├── dist_array.cpp │ ├── dist_array.h │ ├── dist_eval │ │ ├── array_eval.h │ │ ├── binary_eval.h │ │ ├── contraction_eval.h │ │ ├── dist_eval.h │ │ └── unary_eval.h │ ├── distributed_storage.h │ ├── einsum │ │ ├── eigen.h │ │ ├── index.cpp │ │ ├── index.h │ │ ├── range.h │ │ ├── string.h │ │ └── tiledarray.h │ ├── error.h │ ├── expressions │ │ ├── add_engine.h │ │ ├── add_expr.h │ │ ├── binary_engine.h │ │ ├── binary_expr.h │ │ ├── blk_tsr_engine.h │ │ ├── blk_tsr_expr.h │ │ ├── cont_engine.h │ │ ├── contraction_helpers.h │ │ ├── einsum.h │ │ ├── expr.h │ │ ├── expr_engine.h │ │ ├── expr_trace.h │ │ ├── fwd.h │ │ ├── index_list.h │ │ ├── leaf_engine.h │ │ ├── mult_engine.h │ │ ├── mult_expr.h │ │ ├── permopt.cpp │ │ ├── permopt.h │ │ ├── product.h │ │ ├── scal_engine.h │ │ ├── scal_expr.h │ │ ├── scal_tsr_engine.h │ │ ├── scal_tsr_expr.h │ │ ├── subt_engine.h │ │ ├── subt_expr.h │ │ ├── tsr_engine.h │ │ ├── tsr_expr.h │ │ ├── unary_engine.h │ │ └── unary_expr.h │ ├── external │ │ ├── agnerfog │ │ │ ├── intel_cpu_feature_patch.c │ │ │ ├── intel_mkl_cpuid_patch.c │ │ │ ├── intel_mkl_feature_patch.c │ │ │ └── readme.txt │ │ ├── btas.h │ │ ├── cuda.h │ │ ├── device.h │ │ ├── eigen.h │ │ ├── librett.h │ │ └── madness.h │ ├── fwd.h │ ├── host │ │ ├── env.cpp │ │ └── env.h │ ├── initialize.h │ ├── math │ │ ├── blas.h │ │ ├── gemm_helper.h │ │ ├── lapack.h │ │ ├── linalg.h │ │ ├── linalg │ │ │ ├── basic.cpp │ │ │ ├── basic.h │ │ │ ├── cholesky.h │ │ │ ├── forward.h │ │ │ ├── heig.h │ │ │ ├── lu.h │ │ │ ├── non-distributed │ │ │ │ ├── cholesky.h │ │ │ │ ├── heig.h │ │ │ │ ├── lu.h │ │ │ │ ├── qr.h │ │ │ │ └── svd.h │ │ │ ├── qr.h │ │ │ ├── rank-local.cpp │ │ │ ├── rank-local.h │ │ │ ├── scalapack │ │ │ │ ├── all.h │ │ │ │ ├── block_cyclic.h │ │ │ │ ├── cholesky.h │ │ │ │ ├── heig.h │ │ │ │ ├── lu.h │ │ │ │ ├── qr.h │ │ │ │ ├── svd.h │ │ │ │ └── util.h │ │ │ ├── svd.h │ │ │ ├── ttg │ │ │ │ ├── cholesky.h │ │ │ │ └── util.h │ │ │ └── util.h │ │ ├── outer.h │ │ ├── parallel_gemm.h │ │ ├── partial_reduce.h │ │ ├── scalapack.h │ │ ├── solvers │ │ │ ├── conjgrad.h │ │ │ ├── cp.h │ │ │ ├── cp │ │ │ │ ├── btas_cp.h │ │ │ │ ├── cp.h │ │ │ │ ├── cp_als.h │ │ │ │ └── cp_reconstruct.h │ │ │ └── diis.h │ │ ├── transpose.h │ │ └── vector_op.h │ ├── meta.h │ ├── perm_index.h │ ├── permutation.h │ ├── platform.h │ ├── pmap │ │ ├── blocked_pmap.h │ │ ├── cyclic_pmap.h │ │ ├── hash_pmap.h │ │ ├── pmap.h │ │ ├── replicated_pmap.h │ │ ├── round_robin_pmap.h │ │ └── user_pmap.h │ ├── policies │ │ ├── dense_policy.h │ │ └── sparse_policy.h │ ├── proc_grid.h │ ├── range.cpp │ ├── range.h │ ├── range1.h │ ├── range_iterator.h │ ├── reduce_task.h │ ├── replicator.h │ ├── shape.h │ ├── size_array.h │ ├── sparse_shape.cpp │ ├── sparse_shape.h │ ├── special │ │ ├── diagonal_array.h │ │ └── kronecker_delta.h │ ├── symm │ │ ├── irrep.h │ │ ├── permutation.h │ │ ├── permutation_group.h │ │ └── representation.h │ ├── tensor.h │ ├── tensor │ │ ├── complex.h │ │ ├── kernels.h │ │ ├── operators.h │ │ ├── permute.h │ │ ├── print.cpp │ │ ├── print.h │ │ ├── print.ipp │ │ ├── shift_wrapper.h │ │ ├── tensor.cpp │ │ ├── tensor.h │ │ ├── tensor_interface.h │ │ ├── tensor_map.h │ │ ├── type_traits.h │ │ └── utility.h │ ├── tensor_impl.cpp │ ├── tensor_impl.h │ ├── tile.h │ ├── tile_interface │ │ ├── add.h │ │ ├── cast.h │ │ ├── clone.h │ │ ├── permute.h │ │ ├── scale.h │ │ ├── shift.h │ │ └── trace.h │ ├── tile_op │ │ ├── add.h │ │ ├── binary_reduction.h │ │ ├── binary_wrapper.h │ │ ├── contract_reduce.h │ │ ├── mult.h │ │ ├── noop.h │ │ ├── reduce_wrapper.h │ │ ├── scal.h │ │ ├── shift.h │ │ ├── subt.h │ │ ├── tile_interface.h │ │ ├── unary_reduction.h │ │ └── unary_wrapper.h │ ├── tiled_range.h │ ├── tiled_range1.h │ ├── tiledarray.cpp │ ├── transform_iterator.h │ ├── type_traits.h │ ├── util │ │ ├── annotation.h │ │ ├── backtrace.cpp │ │ ├── backtrace.h │ │ ├── bug.cpp │ │ ├── bug.h │ │ ├── eigen.h │ │ ├── function.h │ │ ├── initializer_list.h │ │ ├── invoke.h │ │ ├── logger.h │ │ ├── ptr_registry.cpp │ │ ├── ptr_registry.h │ │ ├── random.cpp │ │ ├── random.h │ │ ├── singleton.h │ │ ├── thread_specific.h │ │ ├── threads.cpp │ │ ├── threads.h │ │ ├── time.h │ │ └── vector.h │ ├── utility.h │ ├── val_array.h │ ├── version.cpp │ ├── version.h.in │ └── zero_tensor.h ├── tiledarray.h └── tiledarray_fwd.h ├── tests ├── CMakeLists.txt ├── annotation.cpp ├── array_fixture.h ├── array_impl.cpp ├── bipartite_index_list.cpp ├── bitset.cpp ├── block_range.cpp ├── blocked_pmap.cpp ├── boost_test_print.h ├── btas.cpp ├── contraction_helpers.cpp ├── conversions.cpp ├── cp.cpp ├── cyclic_pmap.cpp ├── dense_shape.cpp ├── diagonal_array.cpp ├── dist_array.cpp ├── dist_eval_array_eval.cpp ├── dist_eval_binary_eval.cpp ├── dist_eval_contraction_eval.cpp ├── dist_eval_unary_eval.cpp ├── dist_op_communicator.cpp ├── dist_op_dist_cache.cpp ├── dist_op_group.cpp ├── distributed_storage.cpp ├── eigen.cpp ├── einsum.cpp ├── expressions.cpp ├── expressions_btas.cpp ├── expressions_complex.cpp ├── expressions_device_um.cpp ├── expressions_fixture.h ├── expressions_impl.h ├── expressions_mixed.cpp ├── expressions_sparse.cpp ├── foreach.cpp ├── global_fixture.h ├── hash_pmap.cpp ├── index_list.cpp ├── initializer_list.cpp ├── iteration_test.h ├── librett.cpp ├── linalg.cpp ├── math_blas.cpp ├── math_outer.cpp ├── math_partial_reduce.cpp ├── math_transpose.cpp ├── meta.cpp ├── perm_index.cpp ├── permutation.cpp ├── proc_grid.cpp ├── random.cpp ├── range.cpp ├── range1.cpp ├── range_fixture.h ├── reduce_task.cpp ├── replicated_pmap.cpp ├── retile.cpp ├── round_robin_pmap.cpp ├── s_t_t_contract_.cpp ├── solvers.cpp ├── sparse_shape.cpp ├── sparse_shape_fixture.h ├── sparse_tile.h ├── symm_irrep.cpp ├── symm_permutation_group.cpp ├── symm_representation.cpp ├── t_s_t_contract_.cpp ├── t_t_t_contract_.cpp ├── t_tot_tot_contract_.cpp ├── ta_test.cpp ├── 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