vacancydisloop option added
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README.md
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README.md
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@ -165,9 +165,9 @@ This options adds an arbitrarily oriented dislocation into your model based on u
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-disloop loop_normal radius x y z bx by bz poisson
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````
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This option deletes vacancies on a plane which when minimized should result in a dislocation loop structure. The arguments are below:
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This option imposes the displacement field for a dislocation in order to create a loop. This loop is unstable and will close if stress isn't applied.
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`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`.
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`loop_normal` - 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`.
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`n` - The number of atoms to delete on the loop plane
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@ -177,6 +177,14 @@ This option deletes vacancies on a plane which when minimized should result in a
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`poisson` - Poisson ratio for continuum solution
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### Option vacancy_disloop
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```
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-vacancydisloop loop_normal radius x y z
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```
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This option creates a circular planar vacancy cluster of radius `radius` normal to the `loop_normal` centered on position `x y z`. Upon relaxing or energy minimization this cluster should become a prismatic dislocation loop.
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### Option Group
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`-group select_type group_shape shape_arguments additional keywords`
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