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Actual dislocation loop generation algorithm alongside dislgen command

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Alex Selimov 2020-01-13 16:43:49 -05:00
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README.md
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@ -140,13 +140,17 @@ This options adds an arbitrarily oriented dislocation into your model based on u
### Option disloop
````
-disloop loop_normal loop_size x y z
-disloop loop_normal radius x y z bx by bz poisson
````
This option deletes vacancies on a plane which when minimized should result in a dislocation loop structure. The arguments are below:
`dim` - The box dimension which defines the normal to the loop plane. As of now this dimension must be a closed back direction, meaning that for fcc a box dimension has to be of the (111) family of planes
`dim` - The box dimension which defines the normal to the loop plane. As of now this dimension must be a closed back direction, meaning that for fcc a box dimension has to be of the (111) family of planes. Either `x`, `y`, or `z`.
`n` - The number of atoms to delete on the loop plane
`x y z` - The centroid of the loop. As a note,
`x y z` - The centroid of the loop.
`bx by bz` - The burgers vector for the dislocation
`poisson` - Poisson ratio for continuum solution