├── .gitattributes ├── .github ├── dependabot.yml └── workflows │ ├── pre_commit.yml │ ├── python_package.yml │ └── release_me.yml ├── .gitignore ├── .pre-commit-config.yaml ├── .pylintrc ├── CHANGELOG.md ├── LICENSE ├── MANIFEST.in ├── README.md ├── docs ├── Makefile ├── make.bat ├── setup.cfg ├── source │ ├── conf.py │ └── index.rst └── versioneer.py ├── mypy.ini ├── requirements.txt ├── setup.cfg ├── setup.py ├── tobascco ├── __init__.py ├── _version.py ├── atoms.py ├── builder.py ├── cifer.py ├── config.py ├── connectpoints.py ├── createinput.py ├── csv.py ├── data │ ├── arc │ │ ├── epinet_sqc_nets.arc │ │ ├── iza_all.arc │ │ ├── iza_extra.arc │ │ ├── rcsr_0.6.0.arc │ │ ├── zeolites.arc │ │ └── zeolites.archived.arc │ └── sbu │ │ ├── all_non_pillared_met.dat │ │ └── all_organic.dat ├── defaults.ini ├── element_properties.py ├── generator.py ├── glog.py ├── linalg.py ├── net.py ├── sbu.py ├── src │ ├── Makefile │ ├── graph.c │ ├── graph.h │ ├── main.c │ ├── pyoptim.cpp │ ├── 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