LICENSE
README.md
pyproject.toml
src/chemfit/__init__.py
src/chemfit/abstract_objective_function.py
src/chemfit/api.py
src/chemfit/ase_objective_function.py
src/chemfit/callgraph.py
src/chemfit/combined_objective_function.py
src/chemfit/debug_utils.py
src/chemfit/evaluate_context.py
src/chemfit/evaluation_working_directory.py
src/chemfit/executor_graph_schedule.py
src/chemfit/executor_utils.py
src/chemfit/external_computer.py
src/chemfit/fitter.py
src/chemfit/fitter_callbacks.py
src/chemfit/graph_component.py
src/chemfit/graph_schedule_base.py
src/chemfit/kabsch.py
src/chemfit/mpi_graph_schedule.py
src/chemfit/objective_hooks.py
src/chemfit/py.typed
src/chemfit/scheduling.py
src/chemfit/utils.py
src/chemfit.egg-info/PKG-INFO
src/chemfit.egg-info/SOURCES.txt
src/chemfit.egg-info/dependency_links.txt
src/chemfit.egg-info/requires.txt
src/chemfit.egg-info/top_level.txt
tests/test_abstract_interface.py
tests/test_callgraph_rendering.py
tests/test_combined_objective_function.py
tests/test_evaluate_context.py
tests/test_external_computer.py
tests/test_fitter.py
tests/test_fitter_callbacks.py
tests/test_graph_component.py
tests/test_graph_schedule_lifecycle.py
tests/test_graph_schedule_semantics.py
tests/test_kabsch.py
tests/test_lj.py
tests/test_mpi_graph_batching.py
tests/test_mpi_scheduler_failure.py
tests/test_objective_hooks.py
tests/test_path_atoms_factory.py
tests/test_public_api.py
tests/test_utils.py