Subject: Gear method: summary

From: "Sergei Vyboishchikov" <[email-masked]>
Date: 12 May 95 17:31:46 MDT

Dear Netters:

Recently I have posted a question concerning Fortran implementations
of the Gear method. I would like to express my sincere gratitude to
the netters whose responses I received. Some of the replies were very
helpful. One of the programs (LSODA) is available, for example, from
ftp://ftp.uni-bayreuth.de/mounts/pubdsk2/math/netlib/sodepack
The book by Vetterling et al. "Numerical Receipts..." does not contain
any Fortran code for Gear method.

Here is the summary of the responses (in part shortened):
--------------------------------------------------------------------
From: [email-masked]

Hello Sergei,
The QCPE has a very nice pc program set called "GEAR ITERATOR"
which is available in Microsoft Fortran.  I believe they will even
supply the executable.  The QCPE number is QCMP022.
Regards,
Anthony DeBellis
Ciba Corp.
[email-masked]
--------------------------------------------------------------------
From: "FREDERICK IGNATZ-HOOVER" <[email-masked]>

     Try "gear" from the QCPE at the University of Indiana in Bloomington,
     In. USA
--------------------------------------------------------------------
From: [email-masked] (David C. Doherty)

.....<Stuff omitted>
--

On the other hand, you may have some luck poking
around at netlib, for instance:

  http://www.netlib.org/ode/index.html
  ftp://ftp.netlib.org/ode/index

  http://www.netlib.org/odepack/index.html
  ftp://ftp.netlib.org/odepack/index

--------------------------------------------------------------------
From: Dave Edelson <[email-masked]>

A reasonable implementation of Gear is found in the IMSL Library, routine
IVPAG, which can be switched between Adams-Moulton or Gear.  However, it
requires the entire library to be implemented, since the routine calls
other subroutines from the library.

Fortran code for older versions of Gear are found in several places in the
literature.

D. Edelson
College of Engineering
Florida A&M/State Universities
--------------------------------------------------------------------
From: [email-masked] (ARSoftware Corporation)

Though not fortran, Kinetics for Windows is an easy to use Microsoft Windows
based software package for modeling complex chemical reactions and reaction
mechanisms. This unique program computes the concentrations of the chemical
species in a system as a function of time for multistep reversible
reactions, given the reaction mechanism, the forward and reverse rate
constants, and the initial concentrations of reactants and products.

     KINETICS easy to use Windows interface allows you to input complex chemical
systems by simply typing in the reaction equations and the associated rate
constants.  The program automatically formulates the differential equations
necessary to describe the kinetics of the chemical system.  The rate
equations are then numerically integrated using a modified GEAR algorithm.

.....<Stuff omitted>

For more information, contact [email-masked]

Sincerely,

Sat Want S. Khalsa
ARSoftware

=====================================================
ARSoftware Corporation
8201 Corporate Drive
Landover, MD  20785
Phone:  (301) 459-3773
FAX:    (301) 459-3776

e-mail: [email-masked]
--------------------------------------------------------------------
From: [email-masked] (Jack Wathey )

Dear Sergei,

The program you want is "lsoda" (acronym for Livermore Solver of Ordinary
Differential equations: Automatic).  It's a robust and highly optimized
FORTRAN implementation with automatic integration step size control.
Unfortunately I don't remember where it is on the net, but you should
be able to find it with Archie or some similar net-searching tool.

Best wishes,

Jack Wathey
Biosym Technologies, Inc.
--------------------------------------------------------------------
From: [email-masked] (J.C.T. Pool)

Have you looked at Netlib for ODE codes?

See

http://www.netlib.org/index.html

or send a message to

netlib.org

with the text

send index

--------------------------------------------------------------------
From: "Dr. Chris L. Waller" <[email-masked]>

Numerical Recipes in Fortran book and program diskette.

====================================================================
                         Yours,         Sergei.