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Fixed packing of particle covariance matrix

Wouter Hulsbergen requested to merge sevda-v2PV-packing-particlepackingfixed into master

Fixes #347 (closed)

This also fixes a small issue with the computation of the energy in the unpacker. (This change is backward compatible.)

Important note: this updates the Particle packing, but it does not change the packing version as the target branch has not yet been used to reconstruct/generate data.

Edited by Andre Gunther

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