.gitignore
CITATION.cff
LICENSE
OPTIONS.md
README.md
SOLVENT_EFFECTS.md
TECHNICAL_NOTE.md
pyproject.toml
requirements.txt
.github/workflows/release.yml
examples/cla_aimnet2.gjf
examples/cla_freq_aimnet2.gjf
examples/cla_freq_solv_uma.gjf
examples/cla_freq_uma.gjf
examples/cla_solv_uma.gjf
examples/cla_uma.gjf
examples/sn2_freq_orb.gjf
examples/sn2_orb.gjf
examples/water_freq_mace.gjf
examples/water_mace.gjf
g16_mlips.egg-info/PKG-INFO
g16_mlips.egg-info/SOURCES.txt
g16_mlips.egg-info/dependency_links.txt
g16_mlips.egg-info/entry_points.txt
g16_mlips.egg-info/requires.txt
g16_mlips.egg-info/top_level.txt
plugins/__init__.py
plugins/aimnet2_g16.py
plugins/cli_g16.py
plugins/g16_extio.py
plugins/mace_g16.py
plugins/mlip_backends.py
plugins/mlip_server.py
plugins/orbmol_g16.py
plugins/runner_g16.py
plugins/uma_g16.py
plugins/xtb_alpb_correction.py
plugins/xtb_embedcharge_correction.py