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ENH: Update CF assuming no self-interaction

Alexander Tygesen requested to merge assume_no_self_int into master

My latest set of performance improvements - also includes some quite large performance improvements, both for small and large cut offs.

Main points:

  • The CF updater can now assume no self-interactions for updating CFs if the cell is sufficiently large.
  • Group clusters by symmetry with pointers.
  • Also use pointers to equiv_deco arrays.
Edited by Alexander Tygesen

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