[ol7_developer_EPEL] PyQuante-1.6.5-12.el7.x86_64

Name:PyQuante
Version:1.6.5
Release:12.el7
Architecture:x86_64
Group:Applications/Engineering
Size:5043007
License:BSD
RPM: PyQuante-1.6.5-12.el7.x86_64.rpm
Source RPM: PyQuante-1.6.5-12.el7.src.rpm
Build Date:Tue May 22 2018
Build Host:x86-ol7-builder-03.us.oracle.com
Vendor:Oracle America
URL:http://pyquante.sourceforge.net/
Summary:Python Quantum Chemistry
Description:
PyQuante 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 GAMESS, 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.

You might want to install PyQuante-libint as well, which speeds up the
calculation of two-electron integrals.

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