Hi Geoff,
I had only a brief amount of time to beta-test Avogadro 1.2.0, and I
focused on the dipole moment of a few simple molecules (HF, HCl, H2O,
CH3CN, CO2).
While the magnitude of the calculated dipole moments seem fine based on the
partial charges assigned to the atoms, for some reason the direction of the
dipole points in the opposite direction (arrow points in the direction of
the partial positive charge, which is opposite of accepted convention).
I was testing the Windows executable file.
Thanks,
Steve
--
Dr. Steven Petrovic
Professor of Chemistry
Southern Oregon University
1250 Siskiyou Blvd.
Ashland, OR 97520
(541) 552-6803
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