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feat(epsaqu scheme) and refactor mup3d #2

Merged
merged 5 commits into from
Aug 13, 2024
Merged

feat(epsaqu scheme) and refactor mup3d #2

merged 5 commits into from
Aug 13, 2024

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p-ortega
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feat(epsaqu scheme) and refactor mup3d

Added scheme to skip reactions in cells when change in concentration between transport time steps is less than a epsaqu threshold. The scheme is working but needs more testing. By default is turned off and there is no option to turned it on yet.

In addition, the class (mup3d) that writes the model files has been moved into a separate module.

Tests are running.

… a user-defined change in conc between tsteps. turned off for tests at the moment. Added run_cmd func to run from terminal
… update notebooks and tests to work with this module
@p-ortega p-ortega added the enhancement New feature or request label Aug 12, 2024
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Merging and updating main to release alpha in PyPi

@p-ortega p-ortega merged commit 601e54e into main Aug 13, 2024
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@p-ortega p-ortega linked an issue Aug 13, 2024 that may be closed by this pull request
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Phreeqcrm python bindings fail to build in macOS
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