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,

Please also try compiling with the Intel 15 compiler if possible.
As I mentioned earlier, turning on the flags that Edo suggested will help pin this down further if there is a subtle issue with the code.

Thanks.

Best,
-Niri


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