.gitignore
CITATION.cff
LICENSE
OPTIONS.md
README.md
pyproject.toml
requirements.txt
.github/workflows/release.yml
examples/cla_aimnet2.inp
examples/cla_hess_aimnet2.inp
examples/cla_hess_uma.inp
examples/cla_uma.inp
examples/sn2_hess_orb.inp
examples/sn2_orb.inp
examples/water_hess_mace.inp
examples/water_mace.inp
orca_mlips.egg-info/PKG-INFO
orca_mlips.egg-info/SOURCES.txt
orca_mlips.egg-info/dependency_links.txt
orca_mlips.egg-info/entry_points.txt
orca_mlips.egg-info/requires.txt
orca_mlips.egg-info/top_level.txt
plugins/__init__.py
plugins/aimnet2_orca.py
plugins/cli_orca.py
plugins/mace_orca.py
plugins/mlip_backends.py
plugins/mlip_server.py
plugins/orbmol_orca.py
plugins/orca_extio.py
plugins/runner_orca.py
plugins/uma_orca.py