LICENSE
README.md
pyproject.toml
setup.py
./simpnmr/__init__.py
./simpnmr/__version__.py
./simpnmr/application/__init__.py
./simpnmr/application/assignment.py
./simpnmr/application/calc_pcs_iso.py
./simpnmr/application/calc_pdip.py
./simpnmr/application/extract_diamagnetic.py
./simpnmr/application/extract_hfc.py
./simpnmr/application/fit_corr_time.py
./simpnmr/application/fit_susc.py
./simpnmr/application/get_sh.py
./simpnmr/application/plot_hfc.py
./simpnmr/application/plot_hfc_iso_ax.py
./simpnmr/application/plot_shift_tdep.py
./simpnmr/application/predict.py
./simpnmr/application/loaders/__init__.py
./simpnmr/application/loaders/chem_labels.py
./simpnmr/application/loaders/diamagnetic.py
./simpnmr/application/loaders/electronic_state.py
./simpnmr/application/loaders/experiment.py
./simpnmr/application/loaders/molecule.py
./simpnmr/application/loaders/susceptibility.py
./simpnmr/application/loaders/xyz.py
./simpnmr/application/setup/__init__.py
./simpnmr/application/setup/options.py
./simpnmr/application/setup/plotting.py
./simpnmr/application/setup/settings.py
./simpnmr/cli/__init__.py
./simpnmr/cli/cli.py
./simpnmr/cli/setup_logging.py
./simpnmr/config/__init__.py
./simpnmr/config/config.py
./simpnmr/tools/__init__.py
./simpnmr/tools/batch_hf_plot.py
./simpnmr/tools/batch_susc_plot.py
./simpnmr/tools/plot_functional_dependence.py
./simpnmr/tools/plot_susc_dependence.py
./simpnmr/tools/coords_tools/__init__.py
./simpnmr/tools/coords_tools/chemcraft_xyz.py
./simpnmr/tools/coords_tools/transform.py
./simpnmr/tools/coords_tools/xyz_format.py
simpnmr/__init__.py
simpnmr/__version__.py
simpnmr.egg-info/PKG-INFO
simpnmr.egg-info/SOURCES.txt
simpnmr.egg-info/dependency_links.txt
simpnmr.egg-info/entry_points.txt
simpnmr.egg-info/requires.txt
simpnmr.egg-info/top_level.txt
simpnmr/application/__init__.py
simpnmr/application/assignment.py
simpnmr/application/calc_pcs_iso.py
simpnmr/application/calc_pdip.py
simpnmr/application/extract_diamagnetic.py
simpnmr/application/extract_hfc.py
simpnmr/application/fit_corr_time.py
simpnmr/application/fit_susc.py
simpnmr/application/get_sh.py
simpnmr/application/plot_hfc.py
simpnmr/application/plot_hfc_iso_ax.py
simpnmr/application/plot_shift_tdep.py
simpnmr/application/predict.py
simpnmr/application/loaders/__init__.py
simpnmr/application/loaders/chem_labels.py
simpnmr/application/loaders/diamagnetic.py
simpnmr/application/loaders/electronic_state.py
simpnmr/application/loaders/experiment.py
simpnmr/application/loaders/molecule.py
simpnmr/application/loaders/susceptibility.py
simpnmr/application/loaders/xyz.py
simpnmr/application/setup/__init__.py
simpnmr/application/setup/options.py
simpnmr/application/setup/plotting.py
simpnmr/application/setup/settings.py
simpnmr/cli/__init__.py
simpnmr/cli/cli.py
simpnmr/cli/setup_logging.py
simpnmr/config/__init__.py
simpnmr/config/config.py
simpnmr/tools/__init__.py
simpnmr/tools/batch_hf_plot.py
simpnmr/tools/batch_susc_plot.py
simpnmr/tools/plot_functional_dependence.py
simpnmr/tools/plot_susc_dependence.py
simpnmr/tools/coords_tools/__init__.py
simpnmr/tools/coords_tools/chemcraft_xyz.py
simpnmr/tools/coords_tools/transform.py
simpnmr/tools/coords_tools/xyz_format.py