LICENSE
MANIFEST.in
README
setup.py
QuickFF.egg-info/PKG-INFO
QuickFF.egg-info/SOURCES.txt
QuickFF.egg-info/dependency_links.txt
QuickFF.egg-info/requires.txt
QuickFF.egg-info/top_level.txt
quickff/__init__.py
quickff/cost.py
quickff/io.py
quickff/log.py
quickff/paracontext.py
quickff/perturbation.py
quickff/program.py
quickff/reference.py
quickff/scripts.py
quickff/settings.py
quickff/tools.py
quickff/valence.py
quickff/data/__init__.py
quickff/data/quickffrc
quickff/data/uff.prm
quickff/data/systems/clean_h5.py
quickff/data/systems/H2/gaussian.fchk
quickff/data/systems/H2/gaussian_mbis.h5
quickff/data/systems/amoniak/gaussian.fchk
quickff/data/systems/amoniak/gaussian_mbis.h5
quickff/data/systems/benzene/gaussian.fchk
quickff/data/systems/benzene/gaussian_mbis.h5
quickff/data/systems/ethane/gaussian.fchk
quickff/data/systems/ethane/gaussian_mbis.h5
quickff/data/systems/ethanol/gaussian.fchk
quickff/data/systems/ethanol/gaussian_mbis.h5
quickff/data/systems/ethene/gaussian.fchk
quickff/data/systems/ethene/gaussian_mbis.h5
quickff/data/systems/methane/gaussian.fchk
quickff/data/systems/methane/gaussian_mbis.h5
quickff/data/systems/uio66-zr-brick/system.chk
quickff/data/systems/water/gaussian.fchk
quickff/data/systems/water/gaussian_mbis.h5
quickff/tests/__init__.py
quickff/tests/common.py
quickff/tests/test_examples.py
quickff/tests/test_reference.py
quickff/tests/test_valence.py
scripts/qff-input-ei.py
scripts/qff.py