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
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. |