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Optimized PBCs
I took advantage of the fact that we have the reduced cell. This allows to avoid the comparison of different shifts for many values of the scaled coordinates, as well as using the sign of the scaled coordinates to check which shifts should be attempted. The average number of shift vector to be evaluated is approximately 1 (plus the "null-shift") There is also a Pbc::test() function which I used during debugging. I leave it there for future reference.
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