The average_cell Stage
- Overview
- Default Configuration
This stage calculates the average unit cell size (based on the trajectory of the previous stage), and sets the cell size to that average. This is useful for simulations run under a non-constant volume ensemble, where the last frame does not always contain a cell with equilibrated size.
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Keyword |
Description |
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The percentage of the available trajectory frames to use for calculating the average cell. Frames used are ordered by recency. For example, |
Default configurations for the average_cell stage. A {type} value is shown for keywords which do not have defaults set. See General multisim Stage Keywords for descriptions of general keywords
{
compress = "$MAINJOBNAME_$STAGENO-out.tgz"
dir = "$[$JOBPREFIX/$]$[$PREFIX/$]$MAINJOBNAME_$STAGENO"
dryrun = false
effect_if = {list}
jlaunch_opt = []
jobname = "$MAINJOBNAME_$STAGENO"
percent_to_avg = 20.0
prefix = ""
should_skip = false
should_sync = true
struct_output = ""
title = {str}
transfer_asap = false
}