added new orbital type (OSLO) in visualization and parsing .fchk files

nutjunkie / IQmol

IQmol is an open source molecular editor and visualization package

GNU General Public License v3.0

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added new orbital type (OSLO) in visualization and parsing .fchk files #50

Closed mindeye33 closed 3 years ago

susilehtola commented 3 years ago

What is OSLO?

mindeye33 commented 3 years ago

It is a new localization method already added to Q-Chem 5.4.1. Currently, IQmol only reads "Boys" and "ER" methods to be localization methods in the fchk file, but not others such as "NBO", "IBO", etc.