KPP-Mistra

KPP-Mistra is a version of the Kinetics PreProcessor (KPP) software customized for the Mistra model.

KPP-Mistra should only be used in conjunction with the Mistra model; for any other application use the original version or check out the GEOS-Chem community version.

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KPP

KPP is a symbolic chemistry Kinetics PreProcessor, developed by V. Damian and A. Sandu, with the contribution of R. Sander. KPP builds simulation code for chemical kinetic systems. For more information, go to the KPP website.

Copyright (C) 1995-1997 Valeriu Damian and Adrian Sandu, CGRER, Univ. Iowa (USA).

Copyright (C) 1997-2016 Adrian Sandu, Michigan Tech. & Virginia Tech. (USA), with contributions from Rolf Sander, Max-Planck Institute for Chemistry, Mainz (Germany).

KPP is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation (http://www.gnu.org/copyleft/gpl.html); either version 2 of the License, or (at your option) any later version.

KPP is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

A copy of the GNU General Public License can be found in the LICENCE file; you can also consult http://www.gnu.org/copyleft/gpl.html or write to the Free Software Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.

Adrian Sandu
Computer Science Department
Virginia Polytechnic Institute and State University
Blacksburg, VA 24060, USA
E-mail: sandu@cs.vt.edu

Reference

V. Damian, A. Sandu, M. Damian, F. Potra, G.R. Carmichael: "The Kinetic PreProcessor KPP - A Software Environment for Solving Chemical Kinetics", Computers and Chemical Engineering, 26, 11, 1567-1579, 2002 [link].

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KPP-Mistra

KPP-Mistra was developed from KPP v2.2.3 and includes all the bugfixes and modifications made by R. Sander and J. Bock (see the f77 and mistra branches at: https://bitbucket.org/gcst/kpp), plus additional modifications specific to Mistra made by J. Bock. A summary of the changes can be found in the CHANGELOG.md file.

The stable version of KPP-Mistra can be downloaded from the Releases page.

Instructions

To install KPP-Mistra:

1. Check that FLEX (open-source lexical analizer) is installed using the command: flex --version.

2. Find the path of the FLEX library (libfl.a or libfl.so) using the command: locate -b libfl.*.

3. Check that BISON (open-source parser generator) is installed using the command: bison --version.

4. Define the $KPP_HOME environment variable to point to the path of KPP-Mistra. If, for example, KPP-Mistra is installed in $HOME/KPP-Mistra:

• if using the C shell (or the tcsh shell), add the following to ~/.cshrc (or ~/.tcshrc):

  setenv KPP_HOME $HOME/KPP-Mistra
  set PATH=( $PATH $KPP_HOME/bin )

• if using the bash shell, add the following to ~/.bashrc:

  export KPP_HOME=$HOME/KPP-Mistra
  export PATH=$PATH:$KPP_HOME/bin

• Execute the command source ~/.cshrc (or .tcshrc, or .bashrc) to make sure that the changes are in effect. Alternatively, close and reopen the terminal. The command echo $KPP_HOME should return the correct path of KPP-Mistra.

5. In $KPP_HOME edit the Makefile.defs file. Follow the instructions to specify the compiler (by default, the GNU compiler gcc), the path of the FLEX library, etc...

6. In KPP_HOME build the source files using the make command. Check that the installation has been successful using the command which kpp.

To clean the KPP-Mistra installation:

1. Delete the KPP object files with the command: make clean.

2. Delete the KPP object files and binaries with the command: make distclean.

To use KPP-Mistra with the Mistra model:

The KPP User's Manual can be found in the doc/ directory.

Please refer to the Mistra manual in the doc/ directory of the Mistra repository for further information.