LICENSE
README.md
pyproject.toml
setup.py
./simpnmr/__init__.py
./simpnmr/__version__.py
./simpnmr/cli.py
./simpnmr/inputs.py
./simpnmr/main.py
./simpnmr/models.py
./simpnmr/outputs.py
./simpnmr/readers.py
./simpnmr/string_tools.py
./simpnmr/transform.py
./simpnmr/utils.py
./simpnmr/visualise.py
./simpnmr/scripts/__init__.py
./simpnmr/scripts/batch_hf_plot.py
./simpnmr/scripts/batch_susc_plot.py
./simpnmr/scripts/chemcraft_xyz_to_chemlabels.py
./simpnmr/scripts/chi_plot.py
./simpnmr/scripts/get_susc.py
./simpnmr/scripts/plot_functional_dependence.py
./simpnmr/scripts/plot_susc_dependence.py
simpnmr/__init__.py
simpnmr/__version__.py
simpnmr/cli.py
simpnmr/inputs.py
simpnmr/main.py
simpnmr/models.py
simpnmr/outputs.py
simpnmr/readers.py
simpnmr/string_tools.py
simpnmr/transform.py
simpnmr/utils.py
simpnmr/visualise.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/scripts/__init__.py
simpnmr/scripts/batch_hf_plot.py
simpnmr/scripts/batch_susc_plot.py
simpnmr/scripts/chemcraft_xyz_to_chemlabels.py
simpnmr/scripts/chi_plot.py
simpnmr/scripts/get_susc.py
simpnmr/scripts/plot_functional_dependence.py
simpnmr/scripts/plot_susc_dependence.py