~rraffiu/siesta/tddft02

Viewing all changes in revision 638.

  • Committer: Rafi Ullah
  • Date: 2017-06-27 15:59:40 UTC
  • Revision ID: rraffiu@gmail.com-20170627155940-95t5gcaccppbynez
Changed the logic of TDED and MD time steps.

* MD time step is now TDED time step multiplied by number of TDED steps.
* Wavefunctions can be saved, optionally, at the end of a simulation.
* Updated the manual to reflect above changes.

modified:

  Docs/siesta.tex
  Src/dynamics.f
  Src/m_initwf.F90
  Src/read_options.F90
  Src/siesta_options.F90
  Src/siesta_tddft.F90

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