Postprocessing #20
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Postprocessing #20
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…cies for a given TS directory
this assumes everything is a 2D lattice gas except for gas phase species that are RRHO
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📣 This organization is not using Codecov’s GitHub App Integration. We recommend you install it so Codecov can continue to function properly for your repositories. Learn more @@ Coverage Diff @@
## master #20 +/- ##
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- Coverage 60.96% 56.28% -4.68%
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Files 11 12 +1
Lines 2454 2704 +250
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+ Hits 1496 1522 +26
- Misses 958 1182 +224
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Adds functions and notebook for postprocessing Pynta runs to get kinetics.