SUMMARY: c++ class for linear algebra
Date: Tue, 7 Apr 1998 09:46:32 -0400
From: "Dimitris K. Agrfiotis" <dimitris \\at// boris.3dp.com>
To: "'Robert.Franke \\at// ruhr-uni-bochum.de'"
<Robert.Franke \\at// ruhr-uni-bochum.de>
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: Lutz.Ehrlich \\at// EMBL-Heidelberg.de
To: Robert.Franke \\at// ruhr-uni-bochum.de
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: yliu \\at// wesleyan.edu
To: Robert.Franke \\at// ruhr-uni-bochum.de
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 <shenkin \\at// still3.chem.columbia.edu>
To: Robert.Franke \\at// ruhr-uni-bochum.de
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 <oquinet \\at// scf.fundp.ac.be>
To: Robert.Franke \\at// ruhr-uni-bochum.de
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 <lkhundkr \\at// neu.edu>
To: Robert.Franke \\at// ruhr-uni-bochum.de
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: lkhundkr \\at// neu.edu
Date: Tue, 7 Apr 1998 16:08:06 -0400 (CDT)
From: Norge Cruz Hernndez <norge \\at// karin.fmq.uh.edu.cu>
To: Robert.Franke \\at// ruhr-uni-bochum.de
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 <GLASSER \\at// AURUM.CHEM.WITS.AC.ZA>
To: Robert.Franke \\at// ruhr-uni-bochum.de
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: glasser \\at// aurum.chem.wits.ac.za 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 <peter \\at// cherwell.com>
To: robert.franke \\at// rz.ruhr-uni-bochum.de
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 <jrhp \\at// deneb.labvis.unam.mx>
To: Robert.Franke \\at// ruhr-uni-bochum.de
Cc: Rafael Fernandez <rafaelf \\at// servidor.unam.mx>
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 jrhp \\at// labvis.unam.mx
http://www.labvis.unam.mx/ #: (5)-622-8582 fax: (5)
622-8043
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