Initial implementation of geometry optimization for solids
Description
Implements the cell dynamics mechanism with grid regeneration. The geometry optimization is now done in reduced coordinates to allow for cell dynamics. This also introduces the mechanisms for regenerating the symmetries.
News snippet
Initial implementation of geometry optimization for solids
Checklist
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I have checked that my code follows the Octopus coding standards -
I have added tests for all the new features added in this request.
Edited by Nicolas Tancogne-Dejean