Subject: SUMMARY: c++ class for linear algebra

From: <[email-masked]>
Date: Thu, 23 Apr 1998 13:20:04 +0200 (MSZ)

Date: Tue, 7 Apr 1998 09:46:32 -0400
From: "Dimitris K. Agrfiotis" <[email-masked]>
To: "[email-masked]'"
<[email-masked]>
Subject: RE: c++ class for linear algebra

We use RogueWave's Math.h++ and Lapack.h++ and we are very
happy with them. They are commercial, of course. There is a
public version of Lapack from Oak Ridge but I believe they
are in the process of changing the interface. We used to use
the Oak Ridge version but decided to switch to a commercial
package for obvious reasons.

Hope that helps.

Date: Tue, 7 Apr 1998 16:03:52 +0200 (MDT)
From: [email-masked]
To: [email-masked]
Subject: Re: CCL:c++ class for linear algebra

Hi, Robert,

versuch mal LAPACK++

        http://math.nist.gov/lapack++/

Sollte demn"achst aber von Template Numerical Toolkit ersetzt werden.

Sehr viel sch"oner f"ur die konkrete Arbeit sind nat"urlich die
NumericPython-Module, die ebenfalls LAPACK f"ur Matrixobjekte
wrappen. Infos unter:
        http://www.sls.lcs.mit.edu/jjh/numpy/

Das ganze ist in den MolecularModellingToolkit von Konrad Hinsen
integriert (http://starship.skyport.net/crew/hinsen/mmtk.html), so da"s
viele CompChem-Sachen schon vorliegen.

Cheers,
        Lutz

---------------------
Lutz Ehrlich

Structural Biology
EMBL
Meyerhofstr. 1
D-69012 Heidelberg
Germany

Date: Tue, 7 Apr 1998 10:39:02 -0400 (EDT)
From: [email-masked]
To: [email-masked]
Subject: Re: CCL:c++ class for linear algebra

Hi,

There is a lapack++ at http://www.netlib.org

Date: Tue, 7 Apr 1998 11:42:44 -0400
From: Peter Shenkin <[email-masked]>
To: [email-masked]
Subject: Re: CCL:c++ class for linear algebra

There is something called blitz++ -- but I've never used it.

It is well spoken of by those who have.

        -P.

Date: Tue, 07 Apr 1998 20:40:54 +0200
From: Olivier Quinet <[email-masked]>
To: [email-masked]
Subject: Re: CCL:c++ class for linear algebra

Hi,

Here is a site with some good libraries, some are in C other are in C++

http://www.devinfo.com/archives/x2ftp/math/

Olivier

Date: Tue, 07 Apr 1998 14:30:01 -0400
From: Lutfur Khundkar <[email-masked]>
To: [email-masked]
Subject: Re: CCL:c++ class for linear algebra

You could look for the things you need at Netlib
(http://www.netlib.org).
--
Lutfur Khundkar
Assistant Professor
Department of Chemistry, 102 HT
Northeastern Unversity
Boston, MA 02115
------------------------------------
Voice: (617) 373-2382
FAX:   (617) 373-8795
Email: [email-masked]

Date: Tue, 7 Apr 1998 16:08:06 -0400 (CDT)
From: Norge Cruz Hernndez <[email-masked]>
To: [email-masked]
Subject: Re: CCL:c++ class for linear algebra

You may use the IMSL Library in FORTRAN 77.
You want to use the code written in c++. well OK !!

In Linux Sistem is the conver fortran-c f2c command that can help you to
pass tha routines in fortran to c or c++ I think.

Best regard
Norge

Date: Wed, 8 Apr 1998 08:51:10 GMT + 2:00
From: Leslie Glasser <[email-masked]>
To: [email-masked]
Subject: Re: CCL:c++ class for linear algebra

The computer algebra program, Maple, can generate C code for any
desired operations.  Presumably, Mathematica will do the same.

> I would like to know if anyone has a source for a powerfull c++
> class concerning linear algebra features like matrix multiplication etc.

Leslie ==============================================================
(Prof.) Leslie Glasser                     Dept. of Chemistry
E-mail: [email-masked]      Univ. of Witwatersrand
Tel: Intl + 27 11 716-2070                 P. O. WITS 2050
Fax: Intl + 27 11 339-7967                 South Africa
Home Pages:  University      http://sunsite.wits.ac.za
             Chemistry       http://www.chem.wits.ac.za
======================================================================

Date: Wed, 08 Apr 1998 10:44:09 +0100
From: Peter Tebbutt <[email-masked]>
To: [email-masked]
Subject: C++ libraries

Dear Dr Franke,

In response to your query we have a couple of suggestions which might be
useful.

The C++ Library of Efficient Datatypes and Algorithms (LEDA) is very good.
Its free within academia, and has a linear algebra class. The homepage
is:

http://www.mpi-sb.mpg.de/LEDA/

Also

NAG

http://www.nag.co.uk

NAG do not provide c++ classes but do sell libraries of FORTRAN and C
functions for a wide range of maths applications

With regards

Peter Tebbutt
ChemSymphony Consultant
Cherwell Scientific Publishing
Oxford
UK

Date: Mon, 13 Apr 1998 10:18:30 -0500 (MEX)
From: Joaquin Hernandez Perez <[email-masked]>
To: [email-masked]
Cc: Rafael Fernandez <[email-masked]>
Subject: Re: CCL:c++ class for linear algebra

Robert, here is a list oF C++ libraries that includes a good
core of routines for linear algebra:

PETSc - The Portable, Extensible Toolkit for Scientific Computation
http://www.mcs.anl.gov/petsc/petsc.html

The Diffpack Home Page
http://www.oslo.sintef.no/avd/33/3340/diffpack/

The FEAT site of life
http://gaia.iwr.uni-heidelberg.de/~featflow/

VECFEM
http://www.uni-karlsruhe.de/~vecfem/

You can also check
netlib home page
http://netlib.no/

I hope this could help you. Regards.
- - - - - - - - - - - - - - - - -- - - - - - - - - - - - - - - - - - -
 Joaquin Hernandez                               [email-masked]
    http://www.labvis.unam.mx/         #: (5)-622-8582 fax: (5) 622-8043
- - - - - - - - - - - - - - - - -- - - - - - - - - - - - - - - - - - -

/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\
/\                                                /\
/\   Robert Franke                                /\
/\   Fakultaet fuer Chemie                        /\
/\   Lehrstuhl fuer Theoretische Chemie           /\
/\   Ruhr-Universitaet Bochum                     /\
/\   D-44780 Bochum                               /\
/\   Phone: 049-234-7006751 or                    /\
/\          049-234-7005294                       /\
/\   Fax:   049-234-7094109                       /\
/\   email: [email-masked]   /\
/\                                                /\
/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\