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An efficient toolkit for chemical resonance analysis based on quantum chemistry calculations. It implements the quantitative theory of resonance by expansion of the wave function from a DFT/HF calculation in terms of those of the Lewis structures.
Generates an HTML ancestor list from a GEDCOM file using Kekule numbers and Mary Hill color coding. Creates generation statistics and a migration map for ancestral lines. / Erstellt aus einer GEDCOM-Datei eine HTML-Vorfahrenliste mit Kekule-Nummern und Mary-Hill-Farbcodierung. Erzeugt Generationsstatistiken und eine Migrationskarte für Ahnenlinien.