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Note on the SRK commit. It was just an experiment that I changed back to its original state. Did'nt state that smartly withing my commits |
terencelehmann
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Thanks for doing this! I have added a few comments to address before we can merge. Additionally, we should (as you mentioned in the pull request) remake all mechanisms.
Unclear if tests were conducted with the correct code version.
…into jf_dibin_reduction
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Notes on testing with BrukeITV
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ThomasHowarth
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Now looking good - happy to push through
terencelehmann
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We still need to include the implementation for the SRK parts. Since we changed the layout of the COFD in ceptr, SRK would not work. Probably it is also good to test this part in some way.
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I had to implement a new idx, as the parm->Upsilon matrix is of different order, still using it's symmetry to reduce iterations |
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@terencelehmann if you can approve, I'll merge. |
Reduced the size of the "matrix" storing the diffcoefs for the mechanisms. Therefore, adjusted the calculations in ceptr and their usage in Simple.
Beware: Mechanism files need to be reconverted in order to work with the optimized calculations.
This change reduces memory usage and the computational load related to diffusion coefficients.
The calculations are approximately 42% faster than in the previous version, depending on the number of species used in the simulation.