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oct-tdtdm

Nicolas Tancogne-Dejean requested to merge oct_tdtdm into develop

Description

Introducing a new utility, oct-tdtdm, to compute the time dependent TDM from the td_occup output of Octopus. See [Williams et al., JCTC 17, 1795 (2021)] for more details on the method.

News snippet

Introducing a new utility, oct-tdtdm, to compute the time dependent TDM from the td_occup output of Octopus.

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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