LICENSE.txt
README.md
pyproject.toml
src/skala/__init__.py
src/skala/dispersion.py
src/skala/features.py
src/skala/py.typed
src/skala/typing.py
src/skala.egg-info/PKG-INFO
src/skala.egg-info/SOURCES.txt
src/skala.egg-info/dependency_links.txt
src/skala.egg-info/requires.txt
src/skala.egg-info/top_level.txt
src/skala/ase/__init__.py
src/skala/ase/calculator.py
src/skala/benchmark/__init__.py
src/skala/benchmark/__main__.py
src/skala/benchmark/collect_results.py
src/skala/benchmark/dataset.py
src/skala/benchmark/dataset_sources.csv
src/skala/benchmark/fetch.py
src/skala/benchmark/fitting.py
src/skala/benchmark/metrics.py
src/skala/benchmark/models.py
src/skala/benchmark/node_info.py
src/skala/benchmark/orchestrator.py
src/skala/benchmark/protocol.py
src/skala/benchmark/runner.py
src/skala/benchmark/timing.py
src/skala/benchmark/report/__init__.py
src/skala/benchmark/report/_normalize.py
src/skala/benchmark/report/data.py
src/skala/benchmark/report/generate.py
src/skala/benchmark/report/prose.py
src/skala/benchmark/report/assets/report-base.css
src/skala/benchmark/report/assets/report.css
src/skala/benchmark/report/assets/report.js
src/skala/benchmark/report/assets/vendor/d3.min.js
src/skala/benchmark/report/assets/vendor/katex.min.js
src/skala/benchmark/report/templates/index.html
src/skala/benchmark/schema/__init__.py
src/skala/benchmark/schema/environment.py
src/skala/benchmark/schema/measurements.py
src/skala/functional/__init__.py
src/skala/functional/_hashes.py
src/skala/functional/base.py
src/skala/functional/density.py
src/skala/functional/layers.py
src/skala/functional/load.py
src/skala/functional/model.py
src/skala/functional/traditional.py
src/skala/functional/utils/__init__.py
src/skala/functional/utils/cg.py
src/skala/functional/utils/irreps.py
src/skala/functional/utils/pad_ragged.py
src/skala/functional/utils/symmetric_contraction.py
src/skala/gauxc/__init__.py
src/skala/gauxc/export.py
src/skala/gpu4pyscf/__init__.py
src/skala/gpu4pyscf/dft.py
src/skala/gpu4pyscf/gradients.py
src/skala/gpu4pyscf/grids.py
src/skala/pyscf/__init__.py
src/skala/pyscf/ao_evaluation.py
src/skala/pyscf/backend.py
src/skala/pyscf/dft.py
src/skala/pyscf/evaluation.py
src/skala/pyscf/feature_math.py
src/skala/pyscf/features.py
src/skala/pyscf/gradients.py
src/skala/pyscf/grids.py
src/skala/pyscf/memory_estimators.py
src/skala/pyscf/model_chunking.py
src/skala/pyscf/numint.py
src/skala/pyscf/retry.py
src/skala/pyscf/spatial_grid_layout.py
src/skala/pyscf/utils.py
src/skala/pyscf/xc_integrator.py
src/skala/utils/__init__.py
src/skala/utils/torch_allocator.py
tests/test_ao_screening.py
tests/test_ao_screening_benchmark.py
tests/test_ase.py
tests/test_backend.py
tests/test_download_model.py
tests/test_enhancement_factor.py
tests/test_evaluation.py
tests/test_gauxc_export.py
tests/test_gpu4pyscf_ao_screening.py
tests/test_gpu4pyscf_classes.py
tests/test_gpu4pyscf_gradients.py
tests/test_hash_pinning.py
tests/test_memory_estimators.py
tests/test_model.py
tests/test_model_chunking.py
tests/test_pyscf_classes.py
tests/test_pyscf_gradients.py
tests/test_scf_retry.py
tests/test_traced_model_comparison.py
tests/test_traditional.py
tests/test_utils.py
tests/test_xc_integrator.py