An Avogadro 2 plugin to visualize valence orbitals, hybridization, and bonding overlaps.
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Updated
Jun 18, 2026 - Python
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avogadro2
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Potential energy distribution (PED), vibrational-mode assignment and VPT2/IR analysis from ORCA Hessian outputs.
python dft python-script python3 computational-chemistry quantum-chemistry avogadro normal-modes vibrational-analysis normal-mode-analysis vibrational-spectroscopy infrared-spectroscopy dft-calculations normal-mode-sampling avogadro2 vpt2 gvpt2 potential-energy-distribution
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Aug 31, 2026 - Python
Avogadro 2 plugin + CLI for computing Intrinsic Bond Orbitals (IBOs) via Psi4
computational-chemistry pixi quantum-chemistry psi4 iao ibo avogadro2 avogadro-plugin intrinsic-bond-orbitals pipek-mezey
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Updated
Sep 6, 2026 - Python
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