Main Page
Please have a good look inside 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. Likewise, 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 http://spindynamics.org
Spinach Documentation
- Installation
- Spin system specification
- Relaxation theory parameters
- Chemical kinetics parameters
- Basis set specification
- Kernel functions
- Kernel utilities
- Kernel contexts
- Built-in experiments
- Import, export, and visualisation
- Optimal control module
- Hyperfine shift module
- Tensor train module
- Imaging module
- Neural network module
- Textbook module
- Appendix A: internal tolerances
- Appendix B: spin state indexing
- Appendix C: literature citations
- Appendix D: kernel data structures
- Appendix E: experiment parameters
- Appendix F: expert-level options
- Appendix G: SpinXML infrastructure
- Appendix H: Matlab object overloads
- Appendix I: powder grids
- Appendix J: typos in IK's book
Getting started guides
- Simple liquid state NMR simulations
- Protein NMR simulations
- Pseudocontact shift analysis
- Tensor trains
