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Initial implementation of geometry optimization for solids

Nicolas Tancogne-Dejean requested to merge lattice_relaxation into main

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.

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Initial implementation of geometry optimization for solids

Checklist

  • 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

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