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Calculate jump rates and activation energy #43

Merged
merged 5 commits into from
Jul 11, 2023
Merged

Calculate jump rates and activation energy #43

merged 5 commits into from
Jul 11, 2023

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stefsmeets
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@stefsmeets stefsmeets commented Jul 11, 2023 •
edited

This PR ports the calc_rates.md module to gemdat.

Todo

  • jump_names (now part of rates dict)
  • jumps_total
  • rates
  • e_act
  • Refactor
  • Docstrings
  • Write tests
  • Add to integration test

@stefsmeets stefsmeets mentioned this pull request Jul 6, 2023
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@stefsmeets stefsmeets marked this pull request as ready for review July 11, 2023 13:59
@stefsmeets stefsmeets merged commit c1980b5 into main Jul 11, 2023
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@stefsmeets stefsmeets deleted the rates branch July 11, 2023 14:13
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