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Please take a good look through the examples directory – it is likely that a calculation of your type is already there and may be used as a template. With very non‐standard calculations, it may be a good idea to ask at the forum, we are always interested in expanding the example set and would write a template for you. If you had written something that may be of general usefulness to other people, send it to us – we would integrate it into Spinach and make sure it is preserved and maintained.

If you are using Spinach, please do not forget to cite our papers -- citation count is the primary indicator that allows us to secure the funding to keep this project going. The latest version of Spinach is available from https://github.com/IlyaKuprov/Spinach/

Spinach documentation

1. Installation
2. Spin system specification
3. Relaxation theory parameters
4. Chemical kinetics parameters
5. Basis set specification
6. Kernel functions
7. Kernel utilities
8. Kernel contexts
9. Built-in experiments
10. Import, export, and visualisation
11. Optimal control module
12. Hyperfine shift module
13. Tensor train module
14. Imaging module
15. Neural network module
16. Textbook module
17. Appendix A: internal tolerances
18. Appendix B: spin state indexing
19. Appendix C: literature citations
20. Appendix D: kernel data structures
21. Appendix E: experiment parameters
22. Appendix F: expert-level options
23. Appendix G: SpinXML infrastructure
24. Appendix H: Matlab object overloads
25. Appendix I: powder grids
26. Appendix J: typos in IK's book

Getting started guides

See also examples/tutorials folder of Spinach distribution. It contains handouts from Spinach tutorial sessions at various conferences.

1. Simple liquid state NMR simulations
2. Heteronuclear NMR simulations
3. Models of chemical kinetics
4. Fluorine relaxation theory simulations
5. Protein NMR simulations
6. Pseudocontact shift analysis
7. Cavity QED and spin-boson simulations
8. Tensor trains

Q&A and support

1. Spinach developer team
2. Frequently asked questions
3. Matlab configuration advice
4. Spin dynamics lecture course
5. Support forum