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int/rosenbrock.f90 int/rosenbrock_autoreduce.f90 - Added updated the Rosenbrock Rodas3 coefficients in routine Rodas3_1, which is called when ICNTRL(3)==0 or ICNTRL(3)==7. - Trimmed trailing whitespace CHANGELOG.md - Updated accordingly Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
int/rosenbrock.f90 int/rosenbrock_autoreduce.f90 - Added updated the Rosenbrock Rodas3 coefficients in routine Rodas3_1, which is called when ICNTRL(3)==7. - Trimmed trailing whitespace CHANGELOG.md - Updated accordingly Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
int/rosenbrock.F90 - Update Rodas 3.1 coefficients (@msl3v, 08 Apr 2025) - Add comments to be consistent w/ rosenbrock_autoreduce.f90 int/rosenbrock_autoreduce.f90 - Update Rodas 3.1 coefficients (@msl3v, 08 Apr 2025) - Fixed incorrect comment in ros_ErrorMsg, case -7 (should be 0.1*H, not 10*H) Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
int/rosenbrock.c int/rosenbrock.m - Added Rodas3.1 routine with latest coeffs from Mike Long (22 May 2025) - Trimmed trailing whitespace int/rosenbrock.f90 int/rosenbrock_autoreduce.f90 - Updated Rodas3.1 routine with latest coeffs from Mike Long (22 May 2025) CHANGELOG.md - Updated accordingly Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
int/rosenbrock_adj.c int/rosenbrock_adj.f90 - Add Rodas3_1 routine with updated coefficients by Mike Long (22 May 2025) int/rosenbrock.c - Fixed the definition of ros_Name in the Rodas3_1 routine CHANGELOG.md - Updated accordingly Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
int/rosenbrock_adj.c - Added function prototype for Rodas3_1 - Changed "*ros_S" to "ros_S" in Rodas3_1 routine - Changed "*ros_ELO" to ros_ELO" in Rodas3_1 routine Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
int/rosenbrock.c int/rosenbrock.f90 int/rosenbrock.m int/rosenbrock_adj.f90 int/rosenbrock_autoreduce.f90 int/rosenbrock_h211b_qssa.f90 int/rosenbrock_tlm.f90 - Update the Rodas3.1 coefficients to the set provided by Mike Long on 17 July 2025 - Update comments accordingly Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
int/rosenbrock.f90 int/rosenbrock_autoreduce.f90 - Added updated the Rosenbrock Rodas3 coefficients in routine Rodas3_1, which is called when ICNTRL(3)==0 or ICNTRL(3)==7. - Trimmed trailing whitespace CHANGELOG.md - Updated accordingly Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
int/rosenbrock.f90 int/rosenbrock_autoreduce.f90 - Added updated the Rosenbrock Rodas3 coefficients in routine Rodas3_1, which is called when ICNTRL(3)==7. - Trimmed trailing whitespace CHANGELOG.md - Updated accordingly Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
int/rosenbrock.F90 - Update Rodas 3.1 coefficients (@msl3v, 08 Apr 2025) - Add comments to be consistent w/ rosenbrock_autoreduce.f90 int/rosenbrock_autoreduce.f90 - Update Rodas 3.1 coefficients (@msl3v, 08 Apr 2025) - Fixed incorrect comment in ros_ErrorMsg, case -7 (should be 0.1*H, not 10*H) Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
int/rosenbrock.c int/rosenbrock.m - Added Rodas3.1 routine with latest coeffs from Mike Long (22 May 2025) - Trimmed trailing whitespace int/rosenbrock.f90 int/rosenbrock_autoreduce.f90 - Updated Rodas3.1 routine with latest coeffs from Mike Long (22 May 2025) CHANGELOG.md - Updated accordingly Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
int/rosenbrock_adj.c int/rosenbrock_adj.f90 - Add Rodas3_1 routine with updated coefficients by Mike Long (22 May 2025) int/rosenbrock.c - Fixed the definition of ros_Name in the Rodas3_1 routine CHANGELOG.md - Updated accordingly Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
int/rosenbrock_adj.c - Added function prototype for Rodas3_1 - Changed "*ros_S" to "ros_S" in Rodas3_1 routine - Changed "*ros_ELO" to ros_ELO" in Rodas3_1 routine Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
int/rosenbrock.c int/rosenbrock.f90 int/rosenbrock.m int/rosenbrock_adj.f90 int/rosenbrock_autoreduce.f90 int/rosenbrock_h211b_qssa.f90 int/rosenbrock_tlm.f90 - Update the Rodas3.1 coefficients to the set provided by Mike Long on 17 July 2025 - Update comments accordingly Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
int/rosenbrock_adj.f90 - CASE(7) now calls RODAS3_1 instead of RODAS4, which was a typo. Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
CHANGELOG.md - Now also state that we have added RODAS3.1 to the rosenbrock_tlm.f90 integrator. Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
…ers) This merge brings PR #140 (Add RODAS3.1 integration method to all Rosenbrock solvers, by @msl3v and @yantosca) into the KPP 3.4.0 development stream. PR #140 adds an optional Rosenbrock integration method (called RODAS3.1, based on Long et al 2026) to all Rosenbrock integrators. RODAS3.1 is invoked when ICNTRL(3)==7. Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
docs/read_the_docs_environment.yml docs/requirements.txt docs/source/conf.py - Updated Python package versions - Now use "myst_parser" instead of the unmaintained "recommonmark" docs/source/using_kpp/04_input_for_kpp.rst - Now note that ICNTRL(3)==7 will choose the Rodas3.1 method for Rosenbrock integrators Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
int/runge_kutta.c
- Fixed several issues:
1. RK_Interpolate — strncmp without == 0
2. RK_ErrorMsg — Code = *IERR → *IERR = Code
3. RK_ErrorEstimate — rkE[0,1,2] → rkE[1,2,3]
4. RK_Integrator — NewtonIterMain saves main loop count
5. Radau2A_Coefficients — missing . in rkb[2]
6. Lobatto3C_Coefficients — rkT[0][1] written twice;
rkT[0][0] was never being set
CHANGELOG.md
- Updated accordingly
Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
This merge brings PR #148 (Fixed several issues in the runge_kutta.c integrator, by @yantosca) into the KPP 3.4.0 development stream. With the help of Claude AI, we have identified and fixed several issues in the int/runge_kutta.c integrator that were causing numerical instability: 1. In routine RK_Interpolate, added ==0 to the strncmp comparison, to ensure proper behavior. 2. In routine RK_ErrorMsg, the *IERR array was being passed back without a value. We fixed this by setitng *IERR = Code; instead of the other way around. 3. In routine RK_ErrorEstimate, the indices rkE[0,1,2] were incorrect, they were changed to rke[1,2,3]. 4. In routine RK_Integrator, the NewtonIter variable was being overwritten. We now use NewtonIterMain to save the main loop count. 5. In routine Radau2A_Coefficients, the rkb[2] was missing a decimal point. It was set to 1111111... instead of 1.1111..., now fixed. 6. In routine Lobatto3C_Coefficients, the array element rkT[0][1] was written twice. Thus rkT[0][0] was never being set, This is now fixed. This fix reduces the number of total integration steps in the C_rk C-I test from 10^6 to ~3200. Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
This merge brings PR #149 (Add #GRAPH command to create graph-based representations of the chemical mechanism, by @obin1) into the KPP 3.4.0 development stream. @obin1 wrote: These files are useful for mechanism analysis, visualization, and further processing outside of KPP. Bipartite networks can be projected into unipartite networks, for example a kinetics graph as in Sander (2024). I've been working with @blrodriguez18 and @DanielGetter using this option in KPP to create a 30+ graph library of chemical mechanism edgelists. Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
docs/source/using_kpp/04_input_for_kpp.rst - Added documentation about the #GRAPH option CHANGELOG.md - Updated accordingly Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
.gitignore - Include docs/_build in the Git ignore list docs/read_the_docs_environments.yml docs/requirements.txt - Updated sphinx-rtd-theme to 3.1.0 - Updated myst-parser to 5.0.0 - Downgraded sphinx-autobuild to 2024.2.4 Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
This merge brings updates from the 3.4.0 development stream into the release/3.4.0 branch, in anticipation of the Kinetic PreProcessor (KPP) 3.4.0 release. Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
docs/source/citations/kpp.bib - Added Sturm and Silva, 2025 - Added Sturm and Wexler, 2022 - Added Long et al., 2026 (submitted) docs/source/getting_started/00_revision_history.rst - Added KPP 3.4.0 section docs/source/tech_info/07_numerical_methods.rst - Converted table to list-table - Added RODAS-3.1 section docs/source/using_kpp/04_input_for_kpp.rst - Trimmed trailing whitespace docs/source/conf.py src/gdata.h - Version number updated to 3.4.0 AUTHORS.txt - Updated accordingly CHANGELOG.md - Updated accordingly - Version number updated to 3.4.0 Signed-off-by: Bob Yantosca <yantosca@seas.harvard.edu>
RolfSander
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Apr 28, 2026
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yes, I'll work on those changes to go into the 3.4.0 release, it should be fairly minor |
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Thanks @obin1. Feel free to push to the release/3.4.0 branch |
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This is the KPP 3.4.0 release PR. This PR adds the following features:
Updates included in KPP 3.4.0
Version numbers have also been updated:
Corresponding ReadTheDocs documentation updates have also been made.
Python package versions for ReadTheDocs have been updated to more recent versions.