RustBCA

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[feature] General python binding for rustbca

1

Add a binding to run rustbca directly from python: input: string ("0D", "1D"), pydict (toml-like dict) option: add a user-defined ouput paths to dump all the outputs return int flag

jguterl

[question] How do I determine the sputtering and reflection yield from "output, incident, stopped = compound_bca_list_1D_py" code output in test_rustbca.py?

53

I believe I understand the inputs and outputs but not how to calculate sputter and reflection yields from the output. Also, what is the compound reflection code used for/is this...

HexSygon

[bug] RustBCA should emit warning when conflicting options are active, or when input parameters conflict with input options

1

Prime example of this behavior is when `track_recoils = false` and `track_displacements = true` - the former deactivates the latter, and if one is editing input files by hand, the...

drobnyjt

[question] Sputtering yield comparison between RustBCA, SDTrimSP, and Eckstein

18

Hello Jon Drobny, I have noticed a difference between computed Yc-c and Yd-c sputtering yields RustBCA, SDTrimSP, and Eckstein. Overall, the sputtering yields are lower for RustBCA. Please see the...

HexSygon

**Is your feature request related to a problem? Please describe.** If the mfp exceeds the thickness of a layer, particles will pass through it without interacting with it. This might...

drobnyjt

[feature] replace `toml` with `tomli` or standard Python `tomllib`

2

**Is your feature request related to a problem? Please describe.** `toml` on PyPi has essentially been deprecated; it does not conform perfectly to the newest toml spec and has not...

drobnyjt

Add SphereInCuboid geometry

2

Checklist: - [x] Opened an issue - [x] Referenced the relevant issue number(s) below - [x] Provided a description of the changes below - [ ] Ensured all tests pass...

ATM-Jahid

**Description** Eb

drobnyjt

**Is your feature request related to a problem? Please describe.** HDF5 is a widely used data format. RustBCA includes partial support for HDF5 input. However, requiring an external installation means...

drobnyjt

[feature] Reduce 3d input file size

3

**Is your feature request related to a problem? Please describe.** I want to run a number different experiments all with the same 3d mesh. My mesh is quite large and...

dmonah