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
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pkg install erdOrigin
science/erd
Size
1.03MiB
License
GPLv2
Maintainer
yuri@FreeBSD.org
Dependencies
1 packages
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0 packages