Nov 06

SpinDynamica 3.3.1

SpinDynamica 3.3.1 has been released.

The recent SpinDynamica update introduced some problems with WignerD. This bug has been fixed now.

The functionality of CorrelatedEigensystems has been extended. CorrelatedEigensystems now supports Liouvillians and arbitrary sets of matrices.

The usage messages for CorrelatedEigensystems and Adiabatic routines were not informative enough. The usage messages have been expanded and explicit examples are now given.

 

The code for the new version may be downloaded here or in the Download section.

Oct 08

SpinDynamica 3.2.1

SpinDynamica 3.2.1 has been released.

-SpinDynamica now allows for a user specified level of error-trapping via UserLevel. A high degeree of error trapping tends to slow down execution speed. UserLevel may be used to reduce the amount of error trapping leading to improved execution speed for some routines.

-SpinDynamica now contains the new routine MaximizeTransformationAmplitude. MaximizeTransformationAmplitude may be used to numerically optimize a certain TransformationAmplitude. The TransformationAmplitude is optimized for a set of parameters which may be subjected to constraints.

Several bug fixes, most importantly related to the COMPUTE algorithm. These were mainly caused by the new array handling schemes in Mathematica 11, but the fixed should be compatible with earlier version of Mathematica.

 

The code for the new version may be downloaded here or in the Download section.

Feb 26

SpinDynamica 3.1.0 with a couple of new features!

SpinDynamica 3.1.0 has been released.

A couple of new features have been added to the new version of SpinDynamica.

-SpinDynamica now supports dedicated routines for the analysis of adiabatic transformations:

1. CorrelatedEigensystems – This new routine allows the analysis of the correlation between spin-states and the corresponding change in eigenvalues as a function of the adiabatic parameter. Some examples of this new routine may be found in part-11 (adiabaticity) of the documentation.

2. PropagationMethod (Adiabatic) PropagationMethod is a new optional argument for time-dependent events. Using Adiabatic as the PropagationMethod will trigger special treatment of the time-dependent event within the adiabatic approximation. Again examples of this new feature may be found in part-11 (adiabaticity) of the documentation.

Adiabatic propagation schemes consider dynamic phase, as well as abelian geometric phase contributions. Non-Abelian geometric phase contributions are currently not supported.

TransformationAmplitudeTable now supports more than two parameters.

MaximumTransformationAmplitude has been renamed to TransformationAmplitudeBounds and now returns upper and lower transformation bounds.

-Two new superoperator objects have been introduced, the LeftMultiplicationSuperoperator and RightMultiplicationSuperoperator. As the name suggests they multiply their operator argument from the left and right, respectively.

-The function OptimalBipartiteGraphMatching has been added and represents SpinDynamica’s implementation of the Hungarian Algorithm.

-Some further speed-improvements to Liouville-Basis-Set construction have been implemented.

-Several user-reported bugs have been fixed in this new version.

-As already mentioned the documentation has been slightly extend to now include part-10 (polarization) and part-11 (adiabaticity).

The examples files have been updated to be compatible with the new version.

The code for the new version may be downloaded here or in the Download section.

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!

Aug 15

Mathematica 11 issues and SpinDynamica 2.14.3

The latest release of SpinDynamica (2.14.3) is compatible with Mathematica 11.

Lower versions are not compatible with Mathematica 11.

See Downloads

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 18

PolarizationOperator

The new symbol PolarizationOperator may be used to calculate the polarization level of a spin ensemble and has been posted as an Add-On: http://www.spindynamica.soton.ac.uk/polarizationoperator/

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.

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