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Add Rosenbrock_H211b integrator#124

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yantosca merged 6 commits intodevfrom
feature/h211b
Jul 17, 2025
Merged

Add Rosenbrock_H211b integrator#124
yantosca merged 6 commits intodevfrom
feature/h211b

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@yantosca
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This is the companion PR to #105 which introduces the Rosenbrock H211b solver. Please see the discussion in #105 for details.

I am planning to merge this into dev so that we can include it in the KPP 3.2.0 release.

RolfSander and others added 4 commits June 27, 2024 14:52
ci-tests/F90_ros_h211b.kpp
- New definition file for F90_ros_h211b C-I test w/ saprc99 mechanism

.ci-pipelines/ci-common-defs.h
- Add F90_ros_h211b to list of the C-I tests

int/rosenbrock_h211b_qssa.f90
- Bug fix: "mcm_Function" -> "KPP_ROOT_Function".  Removed hardwiring.

CHANGELOG.md
- Updated accordingly

Signed-off-by: Bob Yantosca <[email protected]>
.ci-pipelines/ci-common-defs.sh
- Add new variable MCM_1 and and MCM_2 variable for MCM C-I tests
- Now pass the name of the mechanism to functions clean_ci_test_folder
  and run_ci_test.  Also cat the mixrat.dat from the MCM tests to stdout

.ci-pipelines/ci-cleanup-script.sh
- Pass the name of the KPP mechanism to clean_ci_test_folder

.ci-pipelines/ci-testing-script.sh
- Pass the name of the KPP mechanism to run_ci_test

ci-tests/F90_mcm
- Renamed from "mcm".  Now link to appropriate KPP files in the
  ../../examples/mcm folder.

ci-tests/F90_mcm_h211b
- New C-I test folder.  Link to appropriate KPP files in the
  ../../examples/mcm_h211b folder

examples/mcm_h211b
- New example folder, based on mcm

examples/mcm/run_example.csh
examples/mcm_h211b/run_example.csh
- Scripts to run the examples (for csh/tcsh)

examples/mcm/run_example.sh
examples/mcm_h211b/run_example.sh
- Scripts to run the examples (for bash)

examples/mcm/README.md
examples/mcm_h211b/README.md
- Updated w/ info about the run_example* scripts

CHANGELOG.md
- Updated accordingly

Signed-off-by: Bob Yantosca <[email protected]>
@yantosca yantosca added feature New feature or request integrators Related to numerical integrators labels Jan 27, 2025
@yantosca yantosca requested a review from RolfSander January 27, 2025 20:15
@yantosca yantosca self-assigned this Jan 27, 2025
@RolfSander
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Note that a manuscript about the H211b integrator is currently under
review:

https://doi.org/10.5194/gmd-2024-166

It is possible that there will be some changes to
rosenbrock_posdef_h211b_qssa.f90 during the review process. Should we
wait with the merge until the final paper is published? Or should we
proceed with the merge, and make further changes in the dev branch, if
necessary?

I'm at a meeting this week but should have more time next week to look
at both new merge requests.

@yantosca
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That's fine to wait. I just wanted to see if we could wrap up the loose ends eventually and issue a KPP 3.2.0 release.

@RolfSander
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OK, let's wait until the H211b paper is published. It's fine if the new
integrator is introduced only in KPP 3.3.0, and not yet in KPP 3.2.0.

@yantosca
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Thanks @RolfSander. I'll change the milestone to 3.3.0 for this. I thought we could release 3.2.0 soon just to tie up some of the loose ends into a version.

@yantosca yantosca mentioned this pull request Feb 27, 2025
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The paper about the Rosenbrock solver with step size control has finally
been published. I've updated the KPP documentation, and I think we're
ready to merge now.

@yantosca
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thanks @RolfSander. I'll start merging and we can also release KPP 3.3.0.

@yantosca yantosca added this to the 3.3.0 milestone Jul 17, 2025
@yantosca yantosca merged commit c8b924f into dev Jul 17, 2025
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@yantosca yantosca linked an issue Jul 17, 2025 that may be closed by this pull request
yantosca added a commit that referenced this pull request Jul 17, 2025
.ci-pipelines/ci-common-defs.sh
- Alphabetize the F90 tests, move F90_feuler to the top

docs/source/getting-started/00_revision_history.rst
- Added sections for KPP 3.2.1 and 3.3.0

docs/source/tech_info/06_info_for_kpp_developers.rst
- Convert the list of C-I tests to a list-table
- Add info about F90_ros_h211b, F90_mcm_h211b tests
- Remove mcm, that is now done with F90_mcm

docs/source/using_kpp/04_input_for_rst.kpp
- Extend underline for ICNTRL(8) section

Signed-off-by: Bob Yantosca <[email protected]>
@yantosca yantosca deleted the feature/h211b branch July 17, 2025 15:17
@RolfSander
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Thanks, @yantosca !

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H211b adaptive time-stepping

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