| 10:00:51 AM PDT - Fri, May 12th 2017 |
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Did something change in the basis set reference files going from NWChem 6.5 to 6.6? I was using NWChem on two different systems (one at 6.5 and the other at 6.6) and noticed differing results for the same calculation. Looking at the basis set files in src/basis/libraries, I find the 6-31gs file in 6.5 declares the basis set as CARTESIAN but in 6.6 the basis set is declared SPHERICAL.
Did I miss something here? Thanks.
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