A Python toolkit for computational chemists to analyze and visualize conical intersection topology. It transforms raw quantum chemistry output into intuitive 3D potential energy surfaces to help predict the outcomes of photochemical reactions. Licensed under GPL-3.0.
visualization python3 computational-chemistry data-analysis research-tool automated nonadiabaticdynamics non-adiabatic-molecular-dynamics nonadiabatic-dynamics conical-intersection openmolcas sharc-molcas nonadiabatic-coupling
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Updated
Aug 3, 2025 - Python