search

ifilot / pyqint

Python package for evaluating integrals of Gaussian type orbitals in electronic structure calculations
https://pyqint.imc-tue.nl
GNU General Public License v3.0
23 stars 8 forks source link

Adding Foster-Boys method #19

Closed ifilot closed 1 year ago

ifilot commented 1 year ago

Adding Foster-Boys method for generation of localized orbitals.