psi4 / packages / libecpint 1.0.7

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

Installers

  • linux-64 v1.0.7
  • osx-64 v1.0.7

conda install

To install this package run one of the following:
conda install -c psi4 libecpint
conda install -c "psi4/label/dev" libecpint

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.


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