0.3.1

Release Notes

This release includes minor fixes for the mup3d, io, and config modules when working with unstructured (DISV) grids.

• Grid handling: MF6 RTM built-in functions are now used to retrieve the grid array shape, instead of assuming a nlay × nrow × ncol structure.
• Configuration: The TOML configuration file and associated functions were updated to support nested structures.

0.3.0

What's Changed

• pht3d benchmark examples by @aestrad-intera in #44
• benchmark notebook comments, updated readme by @awfoster94 in #47
• New benchmarks, beautify tutorials by @p-ortega in #49

New Contributors

• @aestrad-intera made their first contribution in #44
• @awfoster94 made their first contribution in #47

Full Changelog: 0.2.1...0.3.0

0.2.1

What's Changed

• Add read the docs by @p-ortega in #40
• Add read the docs for release by @p-ortega in #41
• hot fix move rtd workflow by @p-ortega in #42
• Develop to main - move rtd workflow by @p-ortega in #43

Full Changelog: 0.2.0...0.2.1

0.2.0

What's Changed

• Add externalio refactoring to develop by @aufdenkampe and @p-ortega in #37
• Develop to main for release by @p-ortega in #39

Full Changelog: 0.1.11...0.2.0

0.1.11

0.1.11

Add coveralls

What's Changed

• add coveralls by @p-ortega in #32
• Revert "add coveralls" by @p-ortega in #34
• Revert "Revert "add coveralls"" by @p-ortega in #36
• add coveralls by @p-ortega in #35
• coveralls to main by @p-ortega in #33

Full Changelog: 0.1.10...0.1.11

0.1.10

Release 0.1.10

This PR includes two main features:

1. TOML-based Configuration

A TOML configuration file can now be used to define key model options. A basic config file is automatically generated by mup3d when creating the model files.

Supported options:

• reactive: True/False
  Flag to enable reactions or run transport-only simulations.

• reactive_timing: 'all' or 'user_defined'
  Specify whether reactions should run at all time steps or only selected ones.

• steps: A list of tuples (kper, kstep)
  Time steps at which reactions are executed if reactive_timing is set to 'user_defined'.

2. H₂O and Excess Element Transport

Adds support for transporting H₂O and excess H and O, instead of total H and O. This improves accuracy in scenarios where dissolved oxygen plays a significant role in geochemical reactions.

What's Changed

• Hotfix utils - add steps options in kinetic block by @p-ortega in #28
• Add Config options to run reaction over user defined time steps by @p-ortega in #29
• Enable Transport of H₂O and Excess H/O in YAML and ChemStress Initialization by @p-ortega in #30
• Release 0.1.10 by @p-ortega in #31

Full Changelog: 0.1.9...0.1.10

0.1.9

What's Changed

• add libgfortran macos by @p-ortega in #25
• Add DISV unstructured layered grid capabilities by @aufdenkampe in #23

Full Changelog: 0.1.8...0.1.9

0.1.8

What's Changed

• Feature/improve reaction loop - Generalize time conversion and add parallel options by @p-ortega in #4
• Hotfix/saturation add saturation calcs by @p-ortega in #9
• Hotfix saturation patch to release by @p-ortega in #10
• avoid defining name for mup3d class by @p-ortega in #11
• converts nlay nrow ncol to int by @p-ortega in #13
• Add example readme; expand Ex4 docs; alternate conda env by @aufdenkampe in #14
• Update main with latest fixes by @p-ortega in #15
• Adding some docstrings and type hints by @aufdenkampe in #16
• Develop by @p-ortega in #17
• minor fix to update version by @p-ortega in #18

New Contributors

• @aufdenkampe made their first contribution in #14

Full Changelog: latest...0.1.8