The deform_cell stage
- Overview
- Default Configuration
This stage deforms the system cell by changing its cell lengths based on the given deformation vector. Note that only cell lengths can be modified, and the applied deformation does not modify angles.
Atom coordinates can be optionally remapped to the new box with the remap keyword.
|
Keyword |
Description |
|
|
Scale factor for the x, y, and z coordinates (respectively) of the system cell. |
|
|
Whether atom coordinates should be remapped to the new box size. On by default. |
The following example stage lengthens the y-axis by 2%, and shrinks the z-axis by 3%:
deform_cell {
axes_deformation = [1 1.02 .97]
remap = True
}
Default configurations for the deform_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
{
axes_deformation = [1.0 1.0 1.0 ]
compress = "$MAINJOBNAME_$STAGENO-out.tgz"
dir = "$[$JOBPREFIX/$]$[$PREFIX/$]$MAINJOBNAME_$STAGENO"
dryrun = false
effect_if = {list}
jlaunch_opt = []
jobname = "$MAINJOBNAME_$STAGENO"
prefix = ""
remap = true
should_skip = false
should_sync = true
struct_output = ""
title = {str}
transfer_asap = false
}