.gitignore
LICENSE
README.md
citations.bib
pyproject.toml
requirements.txt
setup.py
CASTING/MCTS.py
CASTING/__init__.py
CASTING/aseEamEvaluate.py
CASTING/clusterfun.py
CASTING/lammpsEvaluate.py
CASTING/perturb.py
CASTING/utilis.py
CASTING/writer.py
CASTING.egg-info/PKG-INFO
CASTING.egg-info/SOURCES.txt
CASTING.egg-info/dependency_links.txt
CASTING.egg-info/requires.txt
CASTING.egg-info/top_level.txt
C_dataset/info.csv
C_dataset/poscars.zip
docs/.nojekyll
docs/Example1.md
docs/Example2.md
docs/Installation.md
docs/README.md
docs/_coverpage.md
docs/_sidebar.md
docs/citation.md
docs/index.html
docs/prerequisites.md
docs/puzzle.png
docs/running-the-code.md
example/Au.eam
example/RunOPt.py
example/dumpfile.dat
example/energy.dat
example/extract.py
example/in.data
example/log.lammps
example/log.screen
example/min.geo
example/structures/0.POSCAR
example/structures/1.POSCAR
example/structures/2.POSCAR
example/structures/3.POSCAR
example/structures/4.POSCAR
example/structures/5.POSCAR
example/structures/6.POSCAR
example/structures/7.POSCAR
example/structures/8.POSCAR
example/structures/9.POSCAR
figs/MCTS.png
figs/MetastableC.png
figs/sutton_chen.gif
notebooks/Au_example_Ase.ipynb