├── .clang-format ├── .githooks ├── pre-commit └── readme.md ├── .github ├── ISSUE_TEMPLATE │ └── issue_template.md ├── PULL_REQUEST_TEMPLATE │ └── pull_request_template.md └── workflows │ ├── c-cpp.yaml │ ├── format.yaml │ └── scripts │ └── check_simd.sh ├── .gitignore ├── .readthedocs.yaml ├── CMakeLists.txt ├── DISCLAIMER ├── Dockerfile ├── LICENSE ├── README.md ├── cmake ├── check_user_env.cmake ├── git_watcher.cmake └── tamm_git.hpp.in ├── docs ├── Doxyfile ├── Makefile ├── conf.py ├── developer_guide │ ├── developer.rst │ ├── process_groups.rst │ └── runtime_parameters.rst ├── index.rst ├── install.rst ├── introduction.rst ├── logos │ ├── doe_logo.png │ ├── pnnl_logo.png │ └── tamm_logo.png ├── prerequisites.rst ├── requirements.txt ├── settings.doxcfg └── user_guide │ ├── basic_example.rst │ ├── code_recipes.rst │ ├── index_spaces.rst │ ├── overview.rst │ ├── runtime_parameters.rst │ ├── tamm_utils.rst │ ├── tensor_construction.rst │ ├── tensor_operations.rst │ ├── tis_operations.rst │ └── user.rst ├── src └── tamm │ ├── CMakeLists.txt │ ├── addop.hpp │ ├── allocop.hpp │ ├── atomic_counter.hpp │ ├── attribute.hpp │ ├── block_assign_plan.hpp │ ├── block_buffer.hpp │ ├── block_lambda_plan.hpp │ ├── block_mult_plan.hpp │ ├── block_operations.hpp │ ├── block_plan.hpp │ ├── block_set_plan.hpp │ ├── block_span.hpp │ ├── blockops_blas.hpp │ ├── blockops_cpu.hpp │ ├── boundvec.hpp │ ├── dag_impl.hpp │ ├── deallocop.hpp │ ├── distribution.hpp │ ├── eigen_includes.hpp │ ├── eigen_utils.hpp │ ├── errors.cpp │ ├── errors.hpp │ ├── execution_context.cpp │ ├── execution_context.hpp │ ├── ga_over_upcxx.hpp │ ├── gpu_streams.hpp │ ├── index_loop_nest.hpp │ ├── index_space.cpp │ ├── index_space.hpp │ ├── index_space_interface.hpp │ ├── interfaces.hpp │ ├── ip_hptt.hpp │ ├── iteration.hpp │ ├── kernels │ ├── assign.hpp │ ├── cpu_blas.cpp │ ├── gpu_blas.cpp │ ├── multiply.hpp │ └── tamm_blas.hpp │ ├── label_translator.hpp │ ├── labeled_tensor.hpp │ ├── local_tensor.hpp │ ├── lru_cache.hpp │ ├── mapop.hpp │ ├── mem_profiler.hpp │ ├── memory_manager.hpp │ ├── memory_manager_ga.hpp │ ├── memory_manager_local.hpp │ ├── mr │ ├── aligned.hpp │ ├── coalescing_free_list.hpp │ ├── device_memory_resource.hpp │ ├── free_list.hpp │ ├── gpu_memory_resource.hpp │ ├── host_memory_resource.hpp │ ├── new_delete_resource.hpp │ ├── per_device_resource.hpp │ ├── pinned_memory_resource.hpp │ ├── pool_memory_resource.hpp │ └── stream_ordered_memory_resource.hpp │ ├── multop.hpp │ ├── op_attributes.hpp │ ├── op_base.hpp │ ├── op_cost.hpp │ ├── op_dag.hpp │ ├── op_executor.hpp │ ├── op_executor_analysis.hpp │ ├── op_profiler.hpp │ ├── op_visitors.hpp │ ├── opmin.hpp │ ├── ops.hpp │ ├── perm.hpp │ ├── proc_grid.hpp │ ├── proc_group.hpp │ ├── range.hpp │ ├── rmm_memory_pool.hpp │ ├── runtime_engine.hpp │ ├── scalar.hpp │ ├── scanop.hpp │ ├── scheduler.hpp │ ├── setop.hpp │ ├── spin_tensor.hpp │ ├── strong_num.hpp │ ├── sycl_device.hpp │ ├── symbol.hpp │ ├── tamm.cpp │ ├── tamm.hpp │ ├── tamm_io.hpp │ ├── tamm_utils.hpp │ ├── tensor.hpp │ ├── tensor_base.cpp │ ├── tensor_base.hpp │ ├── tensor_impl.hpp │ ├── tensor_info.hpp │ ├── tensor_variant.hpp │ ├── tiled_index_space.hpp │ ├── types.hpp │ ├── utils.hpp │ └── work.hpp ├── support ├── enable_githooks.sh └── jobscripts │ ├── aurora │ ├── aurora_bind.sh │ └── job_script_alcf_aurora.sh │ ├── frontier │ └── job_script_frontier.sh │ ├── perlmutter │ ├── job_script_nersc_perlmutter.sh │ └── perlmutter_bind.sh │ ├── polaris │ ├── job_script_alcf_polaris.pbs │ └── set_affinity_gpu_polaris.sh │ ├── sample_mpich_gpu_bind.sh │ └── sample_openmpi_gpu_bind.sh └── tests ├── CMakeLists.txt ├── ga ├── Test_GACreate.cpp ├── Test_GACreate_irreg.cpp ├── Test_GA_Alloc.cpp ├── Test_Layout.cpp ├── Test_MPI_Barrier.cpp ├── Test_MPI_allgather.cpp ├── Test_MPI_allgather2.cpp └── test_ga.cmake └── tamm ├── Test_DAG_IndexTransform.cpp ├── Test_DLPNO_Ops.cpp ├── Test_DependentSpace.cpp ├── Test_EVP.cpp ├── Test_Eigen.cpp ├── Test_IO.cpp ├── Test_IndexLoopNest.cpp ├── Test_IndexSpace.cpp ├── Test_IndexTransform.cpp ├── Test_LabeledTensor.cpp ├── Test_LocalTensor.cpp ├── Test_Mem_Profiler.cpp ├── Test_Mult_Ops.cpp ├── Test_OpDAG.cpp ├── Test_Opmin.cpp ├── Test_Ops.cpp ├── Test_OpsExpr.cpp ├── Test_PG.cpp ├── Test_Tensors.cpp ├── Test_TiledIndexSpace.cpp ├── Test_Unit_Tiled_View_Tensor.cpp ├── Test_Utils.cpp ├── Test_ViewTensor.cpp ├── coupledcluster ├── Test_CCSD.cpp ├── Test_CCSD_V4.cpp ├── Test_CCSD_V4_BlockSparse.cpp ├── Test_DLPNO_CC.cpp ├── ccse_tensors.hpp ├── inputs │ ├── dlpno_co.json │ └── dlpno_uracil.json └── test_cc.cmake └── test_tamm.cmake /.clang-format: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/NWChemEx/TAMM/HEAD/.clang-format -------------------------------------------------------------------------------- /.githooks/pre-commit: 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