Franco Bonafé requested to merge 436-enable-dftb-ehrenfest-dynamics-in-dftbplus-system into develop Jan 03, 2021

Description

Enable TD-DFTB Ehrenfest electron-ion dynamics using DFTB+ as a library, parsing and setting the external field from Octopus at each time step.

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 #436 (closed)

Edited Jan 06, 2021 by Franco Bonafé