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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 conda-forge::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

Dec 6, 2021 at 19:21

License

MIT

Total Downloads

181.3K

Supported Platforms

win-64
macOS-arm64
macOS-64
linux-aarch64
linux-ppc64le
linux-64