Becke
About
Becke is a cython implementation of becke weights for numerical integral.
Platform
Becke is a cython package with binary distribution on Windows
, Linux
and MacOS
.
Functionality
- Becke weights for selected atom(s) in molecule
- Becke weights for all atoms in the molecule
License
Becke is distributed under BSD 3-Clause.
Dependence
- Installation requirements:
numpy
,cython
Installation
To install Becke to system:
pip install becke