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libxc

Description​

Libxc is a library of exchange-correlation functionals for density-functional theory. The aim is to provide a portable, well-tested, and reliable set of exchange and correlation functionals.

Loading the libxc library​

ml use /hpcapps/lib-edda/modules/all/Core
ml use /hpcapps/lib-chem/modules/all 

ml load libxc