Mikhail Kolokolov

icon indicating an email [email protected]

icon location Novosibirsk, Russia icon location Junior Researcher at EPR Lab ITC SB RAS Currently working on my PhD

Results 1 issues of Mikhail Kolokolov

Added the "-r" option for the choice of atom/bond type prediction

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Mentioned in issue #26 Added new variable predIndex (for prediction Index) which transfers "-r" command line option to the Antechamber "-j" option for determining the type of bond/atom type prediction....