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WIP: Resolve "Implement Ehrenfest ion dynamics coupled to DFTB"

Franco Bonafé requested to merge 440-implement-ehrenfest-ion-dynamics-coupled-to-dftb-2 into develop

Description

Separate electron and ion dynamics for Ehrenfest propagation with DFTB+. The ion dynamics will be done directly in Octopus, passing the new coordinates to the electron dynamics propagator in DFTB+ at each timestep, which will return the forces to advance the ions.

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.

Closes #440

Edited by Franco Bonafé

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