LICENSE
MANIFEST.in
README.rst
_compile.py
pyproject.toml
setup.py
src/qmllib/__init__.py
src/qmllib/version.py
src/qmllib.egg-info/PKG-INFO
src/qmllib.egg-info/SOURCES.txt
src/qmllib.egg-info/dependency_links.txt
src/qmllib.egg-info/requires.txt
src/qmllib.egg-info/top_level.txt
src/qmllib/constants/__init__.py
src/qmllib/constants/periodic_table.py
src/qmllib/kernels/__init__.py
src/qmllib/kernels/distance.py
src/qmllib/kernels/fdistance.f90
src/qmllib/kernels/fgradient_kernels.f90
src/qmllib/kernels/fkernels.f90
src/qmllib/kernels/fkpca.f90
src/qmllib/kernels/fkwasserstein.f90
src/qmllib/kernels/gradient_kernels.py
src/qmllib/kernels/kernels.py
src/qmllib/representations/__init__.py
src/qmllib/representations/facsf.f90
src/qmllib/representations/frepresentations.f90
src/qmllib/representations/fslatm.f90
src/qmllib/representations/representations.py
src/qmllib/representations/slatm.py
src/qmllib/representations/arad/__init__.py
src/qmllib/representations/arad/arad.py
src/qmllib/representations/arad/farad_kernels.f90
src/qmllib/representations/bob/__init__.py
src/qmllib/representations/fchl/__init__.py
src/qmllib/representations/fchl/fchl_electric_field_kernels.py
src/qmllib/representations/fchl/fchl_force_kernels.py
src/qmllib/representations/fchl/fchl_kernel_functions.py
src/qmllib/representations/fchl/fchl_representations.py
src/qmllib/representations/fchl/fchl_scalar_kernels.py
src/qmllib/representations/fchl/ffchl_force_kernels.f90
src/qmllib/representations/fchl/ffchl_kernel_types.f90
src/qmllib/representations/fchl/ffchl_kernels.f90
src/qmllib/representations/fchl/ffchl_kernels_ef.f90
src/qmllib/representations/fchl/ffchl_module.f90
src/qmllib/representations/fchl/ffchl_module_ef.f90
src/qmllib/representations/fchl/ffchl_scalar_kernels.f90
src/qmllib/solvers/__init__.py
src/qmllib/solvers/fsolvers.f90
src/qmllib/utils/__init__.py
src/qmllib/utils/alchemy.py
src/qmllib/utils/environment_manipulation.py
src/qmllib/utils/fsettings.f90
src/qmllib/utils/xyz_format.py
tests/test_arad.py
tests/test_distance.py
tests/test_energy_krr_atomic_cmat.py
tests/test_energy_krr_bob.py
tests/test_energy_krr_cmat.py
tests/test_fchl_acsf.py
tests/test_fchl_acsf_energy.py
tests/test_fchl_acsf_forces.py
tests/test_fchl_electric_field.py
tests/test_fchl_force.py
tests/test_fchl_scalar.py
tests/test_kernel_derivatives.py
tests/test_kernels.py
tests/test_representations.py
tests/test_slatm.py
tests/test_solvers.py