erd

3.0.6_6

AcesIII electron repulsion integrals

Efficient electronic integrals in quantum chemistry, and their generalized derivatives for object oriented implementations of electronic structure calculations. Based on the paper: * http://onlinelibrary.wiley.com/doi/10.1002/jcc.21018/abstract

Origin: science/erd

Category: science

Size: 1.03MiB

License: GPLv2

Maintainer: yuri@FreeBSD.org

Dependencies: 1 packages

Required by: 0 packages

Website: github.com/psi4/erd

$pkg install erd

Dependencies (1)

gcc14

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