add sputtering_reflection_compounds fn + gitignore #278
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drobnyjt
requested changes
Apr 17, 2025
| let num_reflected = *num_reflected.lock().unwrap(); | ||
| let energy_reflected = *energy_reflected.lock().unwrap(); | ||
| let num_sputtered = num_sputtered.lock().unwrap(); | ||
| let num_sputtered_: Vec<f64> = num_sputtered.iter().map(|&x| x / num_samples as f64).collect(); |
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I'd recommend a name change of this variable from num_sputtered_ to sputtering_yield or partial_sputtering_yields or similar. It's not super important, but since it's a return value, someone looking at the last line of the function might expect total counts instead of yields
drobnyjt
reviewed
Apr 17, 2025
| @@ -106,6 +107,15 @@ pub fn libRustBCA(py: Python, m: &PyModule) -> PyResult<()> { | |||
| Ok(()) | |||
| } | |||
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| pub fn find_index(Z: f64, Z2: &[f64]) -> Option<usize> { | |||
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Actually, one more thought - indexing by Z could present a problem. What happens when someone wants to simulate a target of, for example, 90% Li-6 and 10% Li-7?
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Fixes # (issue)
Description
add a function binded in python to compute sputtering and reflection in 0D for a compound
Tests
Please describe how the changes in this pull request have been tested, including system information such as OS.