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Update Hermes-3#36

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mikekryjak wants to merge 16 commits into
VANTAGE-Reactions-Coupling/devfrom
update-hermes
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Update Hermes-3#36
mikekryjak wants to merge 16 commits into
VANTAGE-Reactions-Coupling/devfrom
update-hermes

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Updates Hermes-3. This is to get access to the new formatting workflow:
https://bout-dev.readthedocs.io/en/latest/developer_docs/contributing.html#formatting-and-linters

I have also added uv to the Spack python env to allow the formatters to be installed into the formatter environment.

dschwoerer and others added 16 commits April 16, 2026 12:11
This only checks the formatting, and relies on prek for users to do the formatting.

Co-authored-by: Peter Hill <peter.hill@york.ac.uk>
Co-authored-by: Peter Hill <peter.hill@york.ac.uk>
Co-authored-by: Peter Hill <peter.hill@york.ac.uk>
Co-authored-by: Peter Hill <zed.three@gmail.com>
Fix by merging in changes from 1D-threshold. The
neutral_parallel_diffusion diffusion mode is changed to "multispecies"
from the default "afn" so that neutral-neutral collisions
are included.
Just in case there are no collisions, limit the collision frequency
to a small non-zero value.
If species1 was charged and species2 was neutral then the
`ion_neutral` option was not used: These collisions were always
included. The `ion_neutral` option was used in neutral/charged
collisions.

This was caught by the new GuardedOptions system. Thanks Chris!
Updated so they run when restarted from 1D-hydrogen
Would have caught the issue with ion_neutral switch.
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