COSMO-SMD Initialization (regarding solvent accessible surface area)

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Dear Edoapra
 I have applied the patch in the $NWCHEM_TOP with the following information
patching file src/nwdft/scf_dft/dft_scf.F
Hunk #1 succeeded at 1731 with fuzz 2 (offset -68 lines),
but only have got the negligible changes of energies, i.e.,
G(DFT+SMD+D2) = -248.2995362360 (patched)
G(DFT+SMD+D2)= -248.2995362369 (not patched)

G(DFT+SMD)= -248.2873891780(patched)
G(DFT+SMD)= -248.2873891789(not patched).
Edited On 8:25:29 AM PST - Thu, Jan 14th 2016 by Xiongyan21


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