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Update RustBCA to 2.0.0: Improvements to Python bindings, code cleanup, simplify Mesh2D input #205

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Merged
merged 27 commits into from
Mar 16, 2023

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@drobnyjt drobnyjt commented Mar 9, 2023

This will push RustBCA to version 2.0.0 due to breaking changes with the Python bindings and with Mesh2D input.

Fixes: #204 #75

In summary, the following has been added to the Python bindings:

  • simplified imports (removed ".pybca")
  • updated version numbers
  • rotation algorithms for coupling to 3D codes
  • benchmarks

The following has been added to the codebase:

  • benchmark of attractive-repulsive potentials
  • default particle creation methods
  • Mesh2D input changed to GetDP style (point- and point-index triangle-lists instead of specifying each triangle by point).

Jon Drobny added 24 commits October 19, 2022 14:51
…t creation function; added ergonomic python library functions for sputtering and reflection.
…ault options to correctly set track_recoils.:
…qualitatively match EAM down to low energies, unlike SRIM or Thomas.
@drobnyjt drobnyjt changed the title Update RustBCA to 2.0.0: Improvements to Python bindings and code cleanup Update RustBCA to 2.0.0: Improvements to Python bindings, code cleanup, simplify Mesh2D input Mar 10, 2023
Jon Drobny and others added 3 commits March 9, 2023 16:23
@drobnyjt drobnyjt merged commit 5ff8957 into main Mar 16, 2023
@drobnyjt drobnyjt deleted the dev branch March 16, 2023 18:47
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[bug] Python bindings documentation discrepancy in output position units
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