Feb 08

SpinDynamica v3.7.0 is here!

Go to Downloads. This new version includes (functions are in bold):

 

  • Further bug fixes
  • Compatible with Mathematica 13

 

  • SpinPermutationGroup and related features
    • Handling of arbitrary spin permutation groups
    • SpinPermutationOperators are now represented symbolically following cycle notation
    • Products of SpinPermutationOperators are now evaluated symbolically following cycle notation
  • SymmetryAdaptedBasis
    • Construction of symmetry-adapted spin states for arbitrary spin permutation groups
  •  LieAlgebra
    • Construction of a Lie algebra corresponding to a generating set of operators
  • Commutant
    • calculation of the commutant for a set of operators
  • Bicommutant
    • Calculation of the bicommutant for a set of operators
  • DualPairing
    • Determines pairings for the irreducible representations of Sn and SO(3) (considered as a subgroup of SU(2l + 1)^n) as suggested by the Schur-Weyl duality theorem

Extensive new documentation has been added under part 12 describing all new features in detail including several worked examples.

Jan 13

Warning! SpinDynamica 3.6.x with Mathematica v13

Erroneous results have been reported when using SpinDynamica v3.6.x with Mathematica version 13.

This is very surprising behaviour since Mathematica should be backwards compatible.

This has been pinned down to a surprising inconsistency in the handling of SparseArray objects between Mathematica versions 12 and 13.  A bug report has been submitted to wolfram.com.

SpinDynamica v3.7 includes a workaround for known symptoms,

All SpinDynamica users using Mathematica version 13 should upgrade to SpinDynamica v3.7 or later.

MHL

Sep 10

#SpinDynamica

#SpinDynamica is now on Twitter!

Thanks to Laurynas Dagys and Mohamed Sabba.

Jun 16

SpinDynamica video tutorials

ANZMAG (The Australia-New Zealand Magnetic Resonance society) recorded a series of videos on SpinDynamica by Malcolm Levitt. They have kindly made these available on YouTube.

Aug 21

SpinDynamica administration

Welcome to Christian Bengs who has taken over administration over this site.

Christian has already done a lot of excellent coding as part of our new release of SpinDynamica (v3.0.1) and our first SpinDynamica publication. It’s great to have his help!

So many thanks to Christian, and enjoy the new version of SpinDynamica!

Malcolm

Aug 21

First publication on SpinDynamica

Our first article on SpinDynamica has just been accepted for publication: DOI 10.1002/mrc.4642

Thanks to Christian Bengs for helping write this article!

Please cite this article if you published results obtained with SpinDynamica!

Jul 28

2D spectra

The attached code may be used for simple 2D simulations using SpinDynamica. It is not completely general but should do for many purposes. More general code will be included in SpinDynamica in future.

This example has also been posted on the forum, where you may also post responses. Simple2Dspectra

 

 

 

 

 

 

 

 

 

 

 

executable notebook here: Simple2Dspectra

 

Jul 26

LLS relaxation in CH2D groups

SpinDynamica is used to treat the relaxation of long-lived singlet order in monodeuterated methyl groups and uses an effective CH2D geometry to explain experimentally observed results. Download the paper and the SpinDynamica notebook.

Mar 10

SymmetryBasedRecouplingAnalysis

On request, the popular Mathematica code CandRsymmetries has been resurrected as a new SpinDynamica add-on called SymmetryBasedRecouplingAnalysis. It may be found under AddOns or here.

Feb 05

SpinDynamica on Wolfram Blog

CompositePulseAnimationFrameQ & A with Malcolm Levitt on Wolfram Blog: here

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