Difference between revisions of "Main Page"

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This manual goes through ''Spinach'' input structures in the order that most people would be preparing their inputs. Because the library keeps evolving, it is always a good idea, before using a function, to look into the source code for any extra options that might not have made it here yet – the code was written to be very readable and is extensively commented. To bring up the source code of a function, click on its name and press <font face=Courier>Ctrl‐D</font> (Windows) or <font face=Courier>Shift-Cmd-D</font> (Mac).
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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 [http://spindynamics.org/spin_forum 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.
  
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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 send an email to [https://scholar.google.co.uk/citations?user=ULnLc_IAAAAJ&hl=en Ilya Kuprov], 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.
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If you are using ''Spinach'', please ''do not forget to cite our [[Appendix_C:_literature_citations|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/
  
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If you are using ''Spinach'', please ''do not forget to cite our [[Appendix_C:_literature_citations|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
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==Spinach documentation==
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==Spinach Documentation==
 
  
 
# [[Installation]]
 
# [[Installation]]
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# [[Tensor train module]]
 
# [[Tensor train module]]
 
# [[Imaging module]]
 
# [[Imaging module]]
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# [[Neural network module]]
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# [[Textbook module]]
 
# [[Appendix A: internal tolerances]]
 
# [[Appendix A: internal tolerances]]
 
# [[Appendix B: spin state indexing]]
 
# [[Appendix B: spin state indexing]]
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# [[Appendix G: SpinXML infrastructure]]
 
# [[Appendix G: SpinXML infrastructure]]
 
# [[Appendix H: Matlab object overloads]]
 
# [[Appendix H: Matlab object overloads]]
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# [[Appendix I: powder grids]]
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# [[Appendix J: typos in IK's book]]
  
 
==Getting started guides==
 
==Getting started guides==
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See also examples/tutorials folder of ''Spinach'' distribution. It contains handouts from ''Spinach'' tutorial sessions at various conferences.
 
# [[Simple liquid state NMR simulations]]
 
# [[Simple liquid state NMR simulations]]
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# [[Heteronuclear NMR simulations]]
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# [[Models of chemical kinetics]]
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# [[Fluorine relaxation theory simulations]]
 
# [[Protein NMR simulations]]
 
# [[Protein NMR simulations]]
 
# [[Pseudocontact shift analysis]]
 
# [[Pseudocontact shift analysis]]
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# [[Cavity QED and spin-boson simulations]]
 
# [[Tensor trains]]
 
# [[Tensor trains]]
  
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# [[Frequently asked questions]]
 
# [[Frequently asked questions]]
 
# [[Matlab configuration advice]]
 
# [[Matlab configuration advice]]
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# [http://spindynamics.org/support.php Spin dynamics lecture course]
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# [https://spindynamics.org/?page_id=18 Spin dynamics lecture course]
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# [http://spindynamics.org/forum Support forum]
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# [https://spindynamics.org/spin_forum Support forum]

Latest revision as of 05:42, 6 August 2026

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
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