MANIFEST.in
README.md
pyproject.toml
atomix/__init__.py
atomix.egg-info/PKG-INFO
atomix.egg-info/SOURCES.txt
atomix.egg-info/dependency_links.txt
atomix.egg-info/entry_points.txt
atomix.egg-info/requires.txt
atomix.egg-info/top_level.txt
atomix/ai/__init__.py
atomix/ai/generator.py
atomix/ai/prompts.py
atomix/ai/docs/analysis.md
atomix/ai/docs/vasp.md
atomix/ai/docs/workflows.md
atomix/analysis/__init__.py
atomix/analysis/adsorption.py
atomix/analysis/energy.py
atomix/analysis/trajectory.py
atomix/calculators/__init__.py
atomix/calculators/cp2k.py
atomix/calculators/mlip.py
atomix/calculators/vasp.py
atomix/calculators/vasp_segments.py
atomix/cli/__init__.py
atomix/cli/main.py
atomix/core/__init__.py
atomix/core/active_learning.py
atomix/core/calculation.py
atomix/core/config.py
atomix/core/jobs.py
atomix/core/screening.py
atomix/core/workflow.py
atomix/sites/__init__.py
atomix/sites/bulk.py
atomix/sites/surface.py
tests/test_adsorption.py
tests/test_analysis.py
tests/test_cli.py
tests/test_core.py
tests/test_inspect_cli.py
tests/test_mlip.py
tests/test_vasp.py
tests/test_vasp_segments.py
tests/test_workflow.py