COSMO directive failing in NWChem Revision 29289

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After 41 steps of the gas phase and 22 steps of the solvation one iterations, NWCHEM6.8 installed under Ubuntu 17.10.2 using six threads when symmetry c1 had been arbitrarily added into the original input provided here gave the following, identical with those obtained by NWCHEM6.8 precompiled on MAC without the addition of symmetry c1

I wonder whether the multipole analysis of the density is for the gas phase or for
the solvation phase, and put the log file on github.
The other question is when the dielectric constant is 33.58, it is still called water,
although the results might not be affected.
Edited On 3:51:21 AM PDT - Wed, May 16th 2018 by Xiongyan21


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