nutjunkie / IQmol

IQmol is an open source molecular editor and visualization package
GNU General Public License v3.0
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Feature request: plot localized orbital sections #18

Open berquist opened 7 years ago

berquist commented 7 years ago

Under "MO Surfaces/Add Surface", it would be nice to have options for localized orbitals if Localized Alpha MO Coefficients (Boys) (or something similar) is present in a checkpoint file so that the Alpha MO coefficients section doesn't have to be manually replaced.