.gitignore
CITATION.cff
LICENSE
OPTIONS.md
README.md
TECHNICAL_NOTE.md
pyproject.toml
requirements.txt
.github/workflows/release.yml
amber_mlips.egg-info/PKG-INFO
amber_mlips.egg-info/SOURCES.txt
amber_mlips.egg-info/dependency_links.txt
amber_mlips.egg-info/entry_points.txt
amber_mlips.egg-info/requires.txt
amber_mlips.egg-info/top_level.txt
examples/1il4.pdb
examples/1il4_mlregion.pdb
examples/aimnet2.in
examples/leap.parm7
examples/mace.in
examples/md.rst7
examples/orb.in
examples/run.sh
examples/uma.in
examples/uma_embedcharge.in
plugins/__init__.py
plugins/cli_amber.py
plugins/mdin_transform.py
plugins/mlip_backends.py
plugins/mlip_server.py
plugins/mlip_server_entry.py
plugins/nonmpi_qc_shim.py
plugins/xtb_alpb_correction.py
plugins/xtb_embedcharge_correction.py
plugins/c_shim/Makefile
plugins/c_shim/qchem_shim.c