https://github.com/chappertron/multipole-parakeet - Release 0.2.0

What's Changed

• Ver2 by @chappertron in https://github.com/chappertron/multipole-parakeet/pull/2

• Improved performance by using fasthistogram.

• Numba is now used for multipole moment calculations.

• Supports contributions to the charge densities from non-water atoms.

Full Changelog: https://github.com/chappertron/multipole-parakeet/commits/0.2.0

- Python
Published by chappertron almost 2 years ago