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Powf to powi#307

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drobnyjt wants to merge 5 commits into
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powf_to_powi
Open

Powf to powi#307
drobnyjt wants to merge 5 commits into
mainfrom
powf_to_powi

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@drobnyjt

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Thank you for your contribution to rustBCA!

Before submitting this PR, please make sure you have:

  • Opened an issue
  • Referenced the relevant issue number(s) below
  • Provided a description of the changes below
  • Ensured all tests pass and added any necessary tests for new code

Fixes #306

Description

This draft PR replaces all unnecessary powf invocations with appropriate alternatives.

Tests

cargo test has been run; I'll use CI to run integration tests and check output is unchanged.

@drobnyjt

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This PR also fixes some default initial ion positions in the Python API - they were erroneously converted from meters to angstroms with 10e30 instead of 1e30 - this does not have a measurable effect on the vast majority of simulations which is how it had been missed for so long, but if someone were using reflection_coefficient for sub-eV simulations (which is explicitly not recommended) it could have an effect on results

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[feature] optimization - powf to powi, sqrt, cbrt, etc.

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