Gear method: summary

From: "Sergei Vyboishchikov" <SERGEI # - at - # ps1515.chemie.uni-marburg.de>
Subject: Gear method: summary
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: uscgckc3 # - at - # ibmmail.com
 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.
 uscgckc3 # - at - # ibmmail.com
 --------------------------------------------------------------------
 From: "FREDERICK IGNATZ-HOOVER" <FFIGNA # - at - #
 ccmail.monsanto.com>
      Try "gear" from the QCPE at the University of Indiana in
 Bloomington,
      In. USA
 --------------------------------------------------------------------
 From: doherty # - at - # msc.edu (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 <EDELSON # - at - # EVAX12.ENG.FSU.EDU>
 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: ars # - at - # ari.net (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 ars # - at - # ari.net
 Sincerely,
 Sat Want S. Khalsa
 ARSoftware
 =====================================================
 ARSoftware Corporation
 8201 Corporate Drive
 Landover, MD  20785
 Phone:  (301) 459-3773
 FAX:    (301) 459-3776
 e-mail: ars # - at - # ari.net
 --------------------------------------------------------------------
 From: jcw # - at - # biosym.com (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: jpool # - at - # ccsf.caltech.edu (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" <waller # - at - #
 thor.herl.epa.gov>
 Numerical Recipes in Fortran book and program diskette.
 ====================================================================
                          Yours,         Sergei.