12 lines
729 B
Text
12 lines
729 B
Text
PyQuante (Sourceforge Project Page) is an open-source suite of programs for
|
|
developing quantum chemistry methods. The program is written in the Python
|
|
programming language, but has many "rate-determining" modules also written
|
|
in C for speed. The resulting code, though not as fast as Jaguar, NWChem,
|
|
Gaussian, or MPQC, 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 every low-level
|
|
routine.
|
|
|
|
WWW: http://pyquante.sourceforge.net/
|