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ExpandCell Transform
Documentation for the ExpandCell Transform
Transform: ExpandCell
| Author: | Karl Norby <knorby at uchicago dot edu> |
|---|---|
| Date: | Fri, 1 Sept 2006 |
| Category: | Computational Materials Science |
| Description: | Expands a cell by given parameters |
| Copyright: | pyXSD License |
Dependencies
- CellSizer Transform Library -Vector class -Atom class -BravaisLattice class
Other Information
ExpandCell is part of the pyXSD standard release
Standard Call
ExpandCell(a1Expand, a2Expand, a3Expand)
Arguments (detailed)
- a1Expand : Number
- Expansion factor for the first vector
- a2Expand : Number
- Expansion factor for the second vector
- a3Expand : Number
- Expansion factor for the third vector
Description
What It Does
Expands a primitive cell (or any cell) by the expansion factors stated. Changes the positions of the atoms so that they are in terms of the new vectors. Adds new atoms.
What it Returns
The tree with the same general structure as before, but changes data and adds atoms.