Added group option and shift command
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README.md
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README.md
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@ -153,4 +153,23 @@ This option deletes vacancies on a plane which when minimized should result in a
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`bx by bz` - The burgers vector for the dislocation
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`poisson` - Poisson ratio for continuum solution
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`poisson` - Poisson ratio for continuum solution
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### Option Group
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`-group select_type group_shape shape_arguments additional keywords`
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This option selects a group of either elements, nodes, atoms and applies some transformation to them.
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`select_type` - Either `nodes`, `atoms`, `elements`, `nodes/atoms`, `all`. When using the option `nodes` only nodes which are within the group are selected, `elements` selects elements based on whether the element center is within the group, `nodes/atoms` selects both nodes and atoms for the group. `all` selects elements based on the element center and atoms based on their position.
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`group_shape` - Specifies what shape the group takes and dictates which options must be passed. Each shape requires different arguments and these arguments are represented by the placeholder `shape_arguments`. The accepted group shapes and arguments are below:
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*Block:*
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`-group nodes block xlo xhi ylo yhi zlo zhi`
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This selects a group residing in a block with edges perpendicular to the simulation cell. The block boundaries are given by `xlo xhi ylo yhi zlo zhi`.
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`additional keywords`- Represents the various transformations which can be performed on a group. These additional keywords are given below.
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