Difference between revisions of "Eel md last step"
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| − | <code>eel_md_last_step</code> sets the value of last MD step of a previous run. It is used only in case of restarting a simulation. This value is used while writing data to the electronic energy transfer output file. | + | <code>eel_md_last_step</code> 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. |
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=== Summary === | === Summary === | ||
Latest revision as of 10:27, 29 March 2024
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. |
