Bug#161397: ITP: python-pyquante -- Python Quantum Chemistry

[Michael Banck <mbanck@gmx.net>]

Package: wnpp
Version: unavailable; reported 2002-09-18
Severity: wishlist


* Package name    : python-pyquante
  Version         : 1.0.3
  Upstream Author : Rick Muller <rpm@wag.caltech.edu>
* URL             : http://pyquante.sourceforge.net
* License         : GPL
  Description     : Python Quantum Chemistry

PyQuante is a suite of programs for writing quantum chemistry
software. The program is written in the Python programming language,
but has many "rate-determining" modules also written in C for
speed. The resulting code is not nearly as fast as Jaguar, Gaussian,
or GAMESS, but the resulting code is much easier to understand and
modify.

The goal of this software is not necessarily to provide a working
quantum chemistry program (although it will hopefully do that), but
rather to provide a well-engineered set of tools so that scientists
can construct their own quantum chemistry programs without going
through the tedium of having to write everything.

cheers,

Michael