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ENH: Use calculate_ function to compute thermochemical error #117

Merged
merged 15 commits into from Mar 1, 2020
Merged

ENH: Use calculate_ function to compute thermochemical error #117

merged 15 commits into from Mar 1, 2020

Commits on Mar 1, 2020

  1. Cleanup unused import in zpf_error.py

    @bocklund
    bocklund committed Mar 1, 2020
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  2. Add logging info for getting thermochemical data

    @bocklund
    bocklund committed Mar 1, 2020
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  3. Refactor thermochemical error to use calculate_ shadow function and p… 

    …erformance optimization

Optimizes performance of logprob calculation for the normal distribution by not creating the norm object, broadcasts correctly over std_deviations
    @bocklund
    bocklund committed Mar 1, 2020
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  4. Fix docstring for zpf error

    @bocklund
    bocklund committed Mar 1, 2020
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  5. Cleanup thermochemical error

    @bocklund
    bocklund committed Mar 1, 2020
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  6. f-stringify thermochemical error logging

    @bocklund
    bocklund committed Mar 1, 2020
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  7. Drop comps from tests

    @bocklund
    bocklund committed Mar 1, 2020
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  8. Docstring for zpf error

    @bocklund
    bocklund committed Mar 1, 2020
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  9. Fix default for calculate_thermochemical_error parameters. Update tes… 

    …ts with fixed numerical issue.
    @bocklund
    bocklund committed Mar 1, 2020
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  10. Fix timing of setup_context logging

    @bocklund
    bocklund committed Mar 1, 2020
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  11. Update logging

    @bocklund
    bocklund committed Mar 1, 2020
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  12. Update TODO - it's working

    @bocklund
    bocklund committed Mar 1, 2020
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  13. Refactor logpdf calculation to not instantiate a norm object (10% spe… 

    …edup of approx zpf error)
    @bocklund
    bocklund committed Mar 1, 2020
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  14. Rename calculate_thermochemical_error

    @bocklund
    bocklund committed Mar 1, 2020
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  15. Rename thermochemical_error module to non_equilibrium_thermochemical_… 

    …error
    @bocklund
    bocklund committed Mar 1, 2020
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