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Committer:
Rafi Ullah
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Date:
2017-06-27 15:59:40 UTC
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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