| 8:39:33 AM PST - Thu, Mar 1st 2018 |
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UPDATE on Install etc.
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It seems that the out files will go into whatever directory from which I start nwchem.
Are there any negatives to this where a restart or further processing will be problematic?
Finally ( i hope), what tools can be used to visualize the output?
I am interested in both the structure and the spectra, particularly proton NMR amd IR.
Thanks much for your patince in this.
Tim
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