OpenEye QM Floes Documentation

OpenEye QM Floes package uses Psi4 for Quantum Mechanical calculations

Contents:

• Floes
  • Psi4 Floes
• Cubes
  • Preparation
  • Conformers
  • Psi4
  • Analysis
  • Floe Report
• Release Notes
  • v0.3.0 (Orion Release 2020.2)
  • v0.2.0 (Orion Release 2020.1)
• Bibliography
  • Psi4 References