libecpint
A C++ library for the efficient evaluation of integrals over effective core potentials.
A C++ library for the efficient evaluation of integrals over effective core potentials.
To install this package, run one of the following:
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.
Summary
A C++ library for the efficient evaluation of integrals over effective core potentials.
Last Updated
May 14, 2022 at 01:32
License
MIT
Total Downloads
64.2K
Supported Platforms
GitHub Repository
https://github.com/robashaw/libecpintDocumentation
https://libecpint.readthedocs.io/