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Marco Biasini
authored
they added very little benefits and were in general very slow. The call sites of AtomsBegin have been replaced by a triple for loop, ResiduesBegin by a double for loop. While that adds some typing overhead, it gives a speed up compared to the old version. It also happens to fix a problem noticed by Niklaus. the superposition code has also been refactored to reduce redundancy and make it easier to read.
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