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more user manual updates
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RolfSander committed Jul 3, 2022
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4 changes: 2 additions & 2 deletions docs/source/bibtex.json
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Expand Up @@ -13,7 +13,7 @@
"tech_info/06_numerical_methods": [
"Brown_Byrne_and_Hindmarsh_1989",
"Hairer_and_Wanner_1991",
"Hairer_Norsett_and_Wanner_1993",
"Hairer_Norsett_and_Wanner_1987",
"Sandu_et_al._1996",
"Sandu_et_al._1997b",
"Verwer_et_al._1999",
Expand All @@ -25,7 +25,7 @@
"citations/10_kpp_references": [
"Brown_Byrne_and_Hindmarsh_1989",
"Hairer_and_Wanner_1991",
"Hairer_Norsett_and_Wanner_1993",
"Hairer_Norsett_and_Wanner_1987",
"Damian-Iordache_1996",
"Sandu_et_al._1996",
"Sandu_et_al._1997b",
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9 changes: 6 additions & 3 deletions docs/source/citations/09_acknowledgments.rst
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Expand Up @@ -22,12 +22,15 @@ This work has been supported by:
<https://esto.nasa.gov/aist>`_ program (grant #
`AIST-18-0011 <https://esto.nasa.gov/project-selections-for-aist-18/#martin>`_)

We thank Jason Lander for his suggestions how
to migrate from to :program:`yacc` to :program:`bison`.

Shaddy Ahmed and Jennie Thomas helped us with the Matlab
output of KPP.

We would also like to thank Lucas Estrada for his assistance in
setting up the :ref:`ci-tests` on `Azure DevOps Pipelines
<https://azure.microsoft.com/en-us/services/devops/pipelines/>`_. and
for assistance with debugging.

Parts of this user manual are based on :cite:t:`Damian-Iordache_1996`.

We thank Jason Lander for his suggestions how
to migrate from to :program:`yacc` to :program:`bison`.
17 changes: 15 additions & 2 deletions docs/source/citations/kpp.bib
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Expand Up @@ -300,11 +300,11 @@ @book{Hairer_and_Wanner_1996
year = {1996}
}

@book{Hairer_Norsett_and_Wanner_1993,
@book{Hairer_Norsett_and_Wanner_1987,
author = {E. Hairer and S. P. Norsett and G. Wanner},
title = {Solving Ordinary Differential Equations I. Nonstiff Problems.},
publisher = {Springer-Verlag, Berlin},
year = {1993}
year = {1987}
}

@article{Damian_et_al_2002,
Expand Down Expand Up @@ -440,3 +440,16 @@ @article{Lin_et_al._2022
journal = james,
year = {in prep., 2022}
}

@ARTICLE{Sandu_and_Sander_2006,
AUTHOR = {A. Sandu and R. Sander},
TITLE = {Technical note: Simulating chemical systems in
Fortran90 and Matlab with the Kinetic PreProcessor
KPP-2.1},
JOURNAL = acp,
VOLUME = 6,
PAGES = {187-195},
DOI = {10.5194/ACP-6-187-2006},
YEAR = 2006
}

21 changes: 13 additions & 8 deletions docs/source/getting_started/00_revision_history.rst
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Expand Up @@ -257,7 +257,7 @@ KPP 2.2.3

- New Rosebrock method :code:`Rang3` was added.

- The new KPP command :command:`#DECLARE` was added (see
- The new KPP command :command:`#DECLARE` was added (see:
:ref:`declare-cmd`).

- Several vector and array functions from :program:`BLAS` (:code:`WCOPY`,
Expand All @@ -269,24 +269,29 @@ KPP 2.2.3
KPP 2.1
=======

- Fortran90 output has been available since the preliminary version
“1.1-f90-alpha12” provided in :cite:t:`Sander_et_al._2005`.
- Described by :cite:t:`Sandu_and_Sander_2006`.

- Matlab is a new target language (see Sect. `4.4 <#sec:matlab>`__).
- Matlab is a new target language (see: :ref:`matlab-code`).

- The set of integrators has been extended with a general Rosenbrock
integrator, and the corresponding tangent linear and adjoint methods.

- The KPP-generated Fortran90 code has a different file structure than
the C or Fortran77 output (see :ref:`f90-code`).
the C or Fortran77 output (see: :ref:`f90-code`).

- An automatically generated Makefile facilitates the compilation of
the KPP-generated code (see :ref:`Makefile`).
the KPP-generated code (see: :ref:`Makefile`).

- Equation tags provide a convenient way to refer to specific chemical
reactions (see :ref:`lookat-and-monitor`.
reactions (see: :ref:`lookat-and-monitor`.

- The dummy index allows to test if a certain species occurs in the
current chemistry mechanism. (see :ref:`dummyindex-cmd`)
current chemistry mechanism. (see: :ref:`dummyindex-cmd`)

- Lines starting with :code:`//` are comment lines.

===================
KPP 1.1-f90-alpha12
===================

- First KPP version with Fortran90 :cite:p:`Sander_et_al._2005`.
6 changes: 5 additions & 1 deletion docs/source/getting_started/01_installation.rst
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Expand Up @@ -186,10 +186,14 @@ You should see output similar to:
gcc -g -Wall -Wno-unused-function -I/usr/include -c debug.c
gcc -g -Wall -Wno-unused-function -I/usr/include -c gen.c
gcc -g -Wall -Wno-unused-function -I/usr/include -c kpp.c
flex -olex.yy.c scan.l
bison -d -o y.tab.c scan.y
gcc -g -Wall -Wno-unused-function -I/usr/include -c lex.yy.c
gcc -g -Wall -Wno-unused-function -I/usr/include -c scanner.c
gcc -g -Wall -Wno-unused-function -I/usr/include -c scanutil.c
gcc -g -Wall -Wno-unused-function -I/usr/include -c y.tab.c
gcc -g -Wall -Wno-unused-function code.o code_c.o code_f77.o code_f90.o code_matlab.o debug.o gen.o kpp.o lex.yy.o scanner.o scanutil.o y.tab.o -L/usr/lib -lfl -o kpp
gcc -g -Wall -Wno-unused-function code.o code_c.o
code_f77.o code_f90.o code_matlab.o debug.o gen.o kpp.o
lex.yy.o scanner.o scanutil.o y.tab.o -L/usr/lib -lfl -o kpp
This will create the executable file :file:`$KPP_HOME/bin/kpp`.
2 changes: 1 addition & 1 deletion docs/source/index.rst
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Expand Up @@ -8,7 +8,7 @@ The Kinetic PreProcessor: KPP
<p><strong>Adrian Sandu<sup>1</sup>, Rolf Sander<sup>2</sup>, Michael Long<sup>3</sup>, Haipeng Lin<sup>4</sup>, and Robert Yantosca<sup>4</sup></strong></p>
<p><em>
<sup>1</sup> Virginia Polytechnic Institute and State University, Blacksburg, VA, USA<br/>
<sup>2</sup> Max-Planck Institute of Chemistry, Mainz, Germany<br/>
<sup>2</sup> Max-Planck Institute for Chemistry, Mainz, Germany<br/>
<sup>3</sup> Renaissance Fiber, LLC, North Carolina, USA<br/>
<sup>4</sup> Harvard University, Cambridge, MA, USA</em>
</p>
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2 changes: 1 addition & 1 deletion docs/source/tech_info/07_numerical_methods.rst
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Expand Up @@ -380,7 +380,7 @@ Runge-Kutta (aka RK) methods
============================

A general :math:`s`-stage Runge-Kutta method is defined as (see
Section II.1 of :cite:t:`Hairer_Norsett_and_Wanner_1993`)
Section II.1 of :cite:t:`Hairer_Norsett_and_Wanner_1987`)

.. math::
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8 changes: 0 additions & 8 deletions docs/source/using_kpp/05_output_from_kpp.rst
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Expand Up @@ -980,14 +980,6 @@ the sections entitled :ref:`Function` ,
m-function-files are the same as the names of the functions (prefixed
by the model name :code:`ROOT`.

The Matlab syntax for calling each function is

.. code-block:: matlab
[Vdot] = Fun (V, F, RCT);
[JVS ] = Jac_SP (V, F, RCT);
[HESS] = Hessian(V, F, RCT);
The variables of :ref:`table-par` are defined as Matlab :code:`global`
variables and initialized in the file
:file:`ROOT_parameter_defs.m`. The variables of :ref:`table-glob` are
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