COSMO-SMD Initialization (regarding solvent accessible surface area)


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3:35:49 PM PST - Mon, Jan 4th 2016
Hello Edoapra and Niri,

We are currently recompiling nwchem using an Intel 14 compiler, and will post the QA results here when finished. Concerning the env. variables, is there a way to determine the env var settings that were used in our previous installation?

Thanks,
Tom