COSMO-SMD Initialization (regarding solvent accessible surface area)

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  • Niri Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Hi Tom,

Thanks for the update. The GA related compilation variables will be in config.log file (/src/tools/build). For all the NWChem settings, you should have a log of all the environment settings before you started the compilation.
Please also try Edo's suggestion. That might help pin this down further.

Best,
-Niri


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