Eel md last step

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eel_md_last_step sets the value of last MD step of a previous run. It is used only in case of restarting a simulation. This value is internally used while writing data to the electronic energy transfer output file.

Summary

Summary for eel_md_last_step keyword
Required/optional Type Accepted values Default See also Remarks
Optional Integer 100, 1000, etc. 0 eel_E_prev_time, eel_md_prev_time If previous run was up to 1000 steps, use 1000 here.