Difference between revisions of "Adaptive time"
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| − | <code>adaptive_time</code> sets the option for doing a simulation where the time-step has to be variable. This is typically invoked while simulating collision between energetic atoms. There are | + | <code>adaptive_time</code> sets the option for doing a simulation where the time-step has to be variable. This is typically invoked while simulating collision between energetic atoms so that trajectories of atoms can be observed in details and energy conservation can be ensured. There are five input keywords for which values need to be provided if this calculation is invoked. These are as follows: |
<code>adapt_tstep_interval</code>, <code>adapt_tmin</code>, <code>adapt_tmax</code>, <code>adapt_xmax</code>, <code>adapt_emax</code>. | <code>adapt_tstep_interval</code>, <code>adapt_tmin</code>, <code>adapt_tmax</code>, <code>adapt_xmax</code>, <code>adapt_emax</code>. | ||
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adaptive_time = .true. | adaptive_time = .true. | ||
adapt_tstep_interval = 1 | adapt_tstep_interval = 1 | ||
| − | adapt_tmin = 1.0E-07 | + | adapt_tmin = 1.0E-07 ! in fs |
| − | adapt_tmax = 1.0E-01 | + | adapt_tmax = 1.0E-01 ! in fs |
| − | adapt_xmax = 1.0e-3 | + | adapt_xmax = 1.0e-3 ! in angstrom |
| − | adapt_emax = 50.0 | + | adapt_emax = 50.0 ! in eV |
Latest revision as of 18:16, 2 October 2023
adaptive_time sets the option for doing a simulation where the time-step has to be variable. This is typically invoked while simulating collision between energetic atoms so that trajectories of atoms can be observed in details and energy conservation can be ensured. There are five input keywords for which values need to be provided if this calculation is invoked. These are as follows:
adapt_tstep_interval, adapt_tmin, adapt_tmax, adapt_xmax, adapt_emax.
Summary
| Required/optional | Type | Accepted values | Default | See also | Remarks |
|---|---|---|---|---|---|
| Optional | Boolean | .true. or .false.
|
.false.
|
adapt_tstep_interval, adapt_tmin, adapt_tmax, adapt_xmax, adapt_emax
|
Required functionality for simulating collision cascades |
Example
adaptive_time = .true. adapt_tstep_interval = 1 adapt_tmin = 1.0E-07 ! in fs adapt_tmax = 1.0E-01 ! in fs adapt_xmax = 1.0e-3 ! in angstrom adapt_emax = 50.0 ! in eV
