Package: wnpp Version: unavailable; reported 2002-09-18 Severity: wishlist
* Package name : python-pyquante Version : 1.0.3 Upstream Author : Rick Muller <[EMAIL PROTECTED]> * 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
