Difference between revisions of "Eel md prev time"
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(Created page with "<code>eel_md_prev_time</code> sets the value of the time evolved till the last MD step of a previous run. It is used only in case of restarting a simulation. This value is use...") |
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| − | <code>eel_md_prev_time</code> sets the value of the time evolved till the 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 <code>ElectronicEnergyLoss.txt</code> output file. In this file | + | <code>eel_md_prev_time</code> sets the value of the time evolved till the 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 <code>ElectronicEnergyLoss.txt</code> output file. In this file MD times are written by adding with the given value in femtoseconds units. |
=== Summary === | === Summary === | ||
Latest revision as of 10:28, 29 March 2024
eel_md_prev_time sets the value of the time evolved till the 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 ElectronicEnergyLoss.txt output file. In this file MD times are written by adding with the given value in femtoseconds units.
Summary
| Required/optional | Type | Accepted values | Default | See also | Remarks |
|---|---|---|---|---|---|
| Optional | Float | Floating point values | 0.0 fs | eel_md_last_step, eel_E_prev_time
|
Use the last MD time value in fs units from file ElectronicEnergyLoss.txt
|
