Obara-Saika molecular integral code sandbox.
This is a terribly slow but in principle open-ended recursive implementation of the Obara-Saika algorithm using Python.
It may be useful for educational purposes or to generate and/or test a more efficient code.
The computed integrals are not normalized.
Licensed under BSD-3.
Originally forked from here with many thanks for providing the building blocks.
- Python (tested 2.7, 3.6)
mpmath- For testing, either nose or pytest should work; check the Makefile.