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nnn911 authored Aug 17, 2023
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Expand Up @@ -10,10 +10,10 @@ Python modifier for OVITO that changes the particle types in the whole data coll
- `seed` / "Seed": Starting value for the random number generation.

## Examples
- All examples rely on [fcc.lmp](Examples/fcc.lmp) as input structure.
- All examples rely on [fcc.lmp](examples/fcc.lmp) as input structure.

1. [Example 01](Examples/example_01.py) loads the [structure file](Examples/fcc.lmp) and changes its composition from purely type 1 to a random solid solution containing 3 types with concentrations of 0.25, 0.5, and 0.25, respectively.
1. [Example 02](Examples/example_02.py) loads the same [structure file](Examples/fcc.lmp), selects all atoms with a relative position < 0.5 and changes the composition of the selected atoms from type 1 to a random solid solution containing 3 types with concentrations of 0.25, 0.5, and 0.25, respectively. The overall sample composition will not match these concentrations as the unselected region will still be of type 1.
1. [Example 01](examples/example_01.py) loads the [structure file](examples/fcc.lmp) and changes its composition from purely type 1 to a random solid solution containing 3 types with concentrations of 0.25, 0.5, and 0.25, respectively.
1. [Example 02](examples/example_02.py) loads the same [structure file](examples/fcc.lmp), selects all atoms with a relative position < 0.5 and changes the composition of the selected atoms from type 1 to a random solid solution containing 3 types with concentrations of 0.25, 0.5, and 0.25, respectively. The overall sample composition will not match these concentrations as the unselected region will still be of type 1.

- The following two figures show the same two examples in the OVITO Pro GUI.
![Example 01](examples/example_01.png)
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