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#1 2024-07-12 10:27:53
Two important updates on the function of exporting .47 file
Multiwfn updated today has two important changes about exporting NBO .47 file:
IMPROVEMENT: f-type spherical-harmonic basis functions have been supported in exporting NBO .47 file.
BUG FIXED: The contraction coefficients of spherical-harmonic D shells in the .47 file exported by Multiwfn are all zero.
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