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Releases: IlyaKuprov/Spinach

Spinach 2.9

08 May 16:21
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Migration to GitHub (after 15 years on SVN) accomplished!

Improvements in parallel efficiency of optimal control calculations, particularly with Newton-Raphson optimisers (collaboration with David Goodwin). Spectrograms and slice flip angle reporting in GRAPE diagnostics. New ensemble control modalities: transmitter offsets and couplings, supporting multiple distributed variables. New optimal control examples and an option of saving a video file of the diagnostics window during the optimisation process. Event list compiler that converts multi-event and multi-channel pulse sequences into pulse shapes with a fixed transmitter frequency.

A new highly characterised standard spin system: allyl pyruvate (collaboration with Anupama Acharya and Yael Ben-Tal).

Hyperbolic secant waveform function. Chirped pulse generation function now supports adaptively sampled chirps and refuses to generate chirps that violate Nyquist-Shannon conditions (collaboration with Guinevere Mathies). Shaped pulse function now supports high-order Lie quadratures (collaboration with Uluk Rasulov and Anupama Acharya). Heterodyne function (collaboration with Anupama Acharya).

New cross-polarisation pulse sequences for MAS NMR and new pulsed DNP experiments with many examples from published work (collaboration with Guinevere Mathies).

New convenience functions: non-linear contour spacing, isotope substitution function that scales all relevant interactions, non-commuting part removal, matrix trace removal, indefinite Tikhonov solver, adiabatic elimination, spherical tensor expansion for central transition operators of quadrupolar nuclei.

Numerical efficiency improvements in field-swept ESR spectra calculations and time-domain ENDOR simulations. Eigenfields solver now supports Rayleigh-Schrodinger perturbation theory.

Experimental support for bosonic degrees of freedom (electromagnetic cavity modes and phonon modes) with a few examples (collaboration with Aharon Blank and Moamen Jbara).