Subject: Object-oriented means for computational chemistry programming

From: "Serge A. Pisarev" <[email-masked]>
Date: Mon, 7 Jul 1997 15:47:09 +0400

Dear CCL'ers!
FORTRAN still remains the main programming language of computational
chemistry. But 
I wonder if anybody knew about the programs where methods computational
chemistry and, in particular quantum mechanical (ab initio or
semiempirical), MM or QM/MM force field methods are developed by means of
object-oriented languages (C++ preferably). I know Hyperchem is announced
to be of that kind. What else?
Is there any benchmarks where their characteristics are presented as
compared to FORTRAN programs? Is there any sufficient difference in the
speed of computation?
I will summarize the answers if it would be of interest.
Thanks in advance and best regards to all
Serge
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 Serge A. Pisarev, PhD student, Department of Organic Chemistry,
 Moscow State University: Vorobievy Hills, Zip 119899, Moscow, Russia
 email : [email-masked]
 URL : http://org.chem.msu.su/~serge/
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