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erd

3.0.6_6science

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

$pkg install erd
github.com/psi4/erd
Origin
science/erd
Size
1.03MiB
License
GPLv2
Maintainer
yuri@FreeBSD.org
Dependencies
1 packages
Required by
0 packages

Dependencies (1)