(WiP) Separated Stochastic Selection#28
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Trajectories starting from a triplet are currently not initialised as a multiplet. So, starting from a triplet should not be possible until this is fixed.
Before, all TBFs would start with Amp = 1, leading to a norm > 1 Changed this by adjusting Amp initialisation, but is that the right way to go?
for checking if Bundle with 2 initial TBFs is correctly created but nothing else
In OverlapModule for checking bundle set up
Changes to SelectionModule: - alternative selection if singlet and triplet states - selection only happens for singlet only or triplet only blocks of coupled trajectories (not for S/T mixed blocks) Other changes: - Starting with more than one initial Gaussian (NumInitBasis > 1) - Displacing Gaussians using swarm in SamplingModule (this only works for the SOC model, as it assumes 1D)
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## main #28 +/- ##
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- Coverage 54.26% 52.44% -1.83%
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Death is now handled currectly (haha) TrajIDs of DeadTrajs are not skipped anymore when killing
- Amplitudes are normalised to separated block and renormalised to total bundle after selection - Issue of no normalisation if selection happens in first separated block fixed - Index of trajectories to kill only changed if selection happened (added IsSelection to perform_stochastic_selection for this) - Commented out a bunch of print statements
Relevant change: - loop for translating indices which trajectory to kill now starts at 1 instead of 2
fixed the reordering of blocktrajid into blocks that correspond to the stochastic selection modes (i.e. all Singlet-only block trajids in one column, all Triplet-only in one column, before this did not work if a block was spread over more than two individual blocks) Also, activated a set of useful prints for debugging
- realised that the TrajIDs can remain unchanged when copying from B1 into the spin-separated bundles - realised that, with the TrajIDs remaining unchanged, all that needs to be copied back to B1 after a selection are the amplitudes
- restructured main loop of SelectionModule into one
- got rid of unused variables - commented out print statements - added a fix for Singlet and Triplet selection happening at the same time step (making sure that dead trajs of both selections are marked for death)
danielhollas
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Jun 5, 2026
Works the same way as the WiP branch in #28, but: - only changes in SelectionModule - commented out parts removed - kept only those commented out print statements that are usefull SSGAIMS test will follow
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Especially SelectionModule very much WiP and not yet working properly
Changes to SelectionModule:
blocks of coupled trajectories (not for S/T mixed blocks)
Other changes:
(NumInitBasis > 1)
(this only works for the SOC model, as it assumes 1D)
Changes which are only print statements:
dynamics.f90BundleCalcsModule.f90OverlapModule.f90