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lcpp-org / RustBCA

A free, open-source Binary Collision Approximation (BCA) code for ion-material interactions including sputtering, implantation, and reflection
https://github.com/lcpp-org/RustBCA/wiki
GNU General Public License v3.0
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[question]How to customize the crystal structure and PKA direction #250

Closed ruio248 closed 2 months ago

ruio248 commented 3 months ago

I want to define a crystal structure myself and select the central atom as the PKA, and also set the direction of the PKA. How should I proceed?

drobnyjt commented 3 months ago

Hi @ruio248; RustBCA uses the amorphous material approximation. There is currently no way to define a crystal structure. While it would be possible to add this functionality, there are currently no plans to do so.

Pre-existing alternatives for this would be MARLOWE or ACAT.

drobnyjt commented 2 months ago

I'll close this issue for now, but feel free to comment on this issue if you have any followup questions or open a new issue for any other reason.