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uclchem / UCLCHEM

UCLCHEM - A gas-grain chemical code for Astrochemistry.
MIT License
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analysis.py #17

Closed jonholdship closed 2 years ago

jonholdship commented 3 years ago

Analysis.py estimates the rate of change of a species wrt to each reaction in the network and then for each time step, lists the most important destruction and formation routes.

However, since it's not used often it hasn't been maintained. Several things need to be improved:

  1. User interface. There are almost no comments, not even to explain inputs
  2. Rate calculations. rates.f90 is effectively rewritten in python in plot_functions.py. It needs to be updated to account for new reaction rates OR better yet, can we make it use a compile python version of UCLCHEM?
jonholdship commented 2 years ago

Closed as new python module addresses this issue.