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libecpint

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A C++ library for the efficient evaluation of integrals over effective core potentials.

Installation

To install this package, run one of the following:

Conda
$conda install psi4::libecpint

Usage Tracking

1.0.7
1 / 8 versions selected
Downloads (Last 6 months): 0

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.

About

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

linux-64
macOS-64