LICENSE
README.md
pyproject.toml
src/iflow_mcp_xirtamesrevni_mcp_atomictoolkit.egg-info/PKG-INFO
src/iflow_mcp_xirtamesrevni_mcp_atomictoolkit.egg-info/SOURCES.txt
src/iflow_mcp_xirtamesrevni_mcp_atomictoolkit.egg-info/dependency_links.txt
src/iflow_mcp_xirtamesrevni_mcp_atomictoolkit.egg-info/entry_points.txt
src/iflow_mcp_xirtamesrevni_mcp_atomictoolkit.egg-info/requires.txt
src/iflow_mcp_xirtamesrevni_mcp_atomictoolkit.egg-info/top_level.txt
src/mcp_atomictoolkit/__init__.py
src/mcp_atomictoolkit/artifact_store.py
src/mcp_atomictoolkit/http_app.py
src/mcp_atomictoolkit/io_handlers.py
src/mcp_atomictoolkit/mcp_server.py
src/mcp_atomictoolkit/md_runner.py
src/mcp_atomictoolkit/optimizers.py
src/mcp_atomictoolkit/run_stdio.py
src/mcp_atomictoolkit/structure_operations.py
src/mcp_atomictoolkit/analysis/__init__.py
src/mcp_atomictoolkit/analysis/autocorrelation.py
src/mcp_atomictoolkit/analysis/structure.py
src/mcp_atomictoolkit/analysis/trajectory.py
src/mcp_atomictoolkit/workflows/__init__.py
src/mcp_atomictoolkit/workflows/core.py
tests/test_analysis_autocorrelation.py
tests/test_analysis_structure.py
tests/test_analysis_trajectory.py
tests/test_io_handlers.py
tests/test_mcp_server.py
tests/test_optimizers_cpu_jax.py
tests/test_structure_operations.py