• License: MIT
• Home: https://github.com/robashaw/libecpint
• Development: https://github.com/robashaw/libecpint
• Documentation: https://libecpint.readthedocs.io/
• 103230 total downloads
• Last upload: 4 months and 3 days ago

Description

Libecpint is a C++ library for the efficient evaluation of integrals over ab initio effective core potentials, using a mixture of generated, recursive code and Gauss-Chebyshev quadrature. It is designed to be standalone and generic, and is now in its first stable release. If you experience any problems please raise an issue here; contributions and suggestions are also welcome.