NNP
0.0.4

Introduction

  • Introduction

Examples

  • Rotation in 3D Space
  • Use ASE to Simulate Planetary Motion
  • Analytical Hessians and Vibrational Analysis

API

  • SO(3) Lie Group Operations
  • Molecular Dynamics
  • Periodic Boundary Conditions
  • Vibrational Analysis

Implementation Walkthrough

  • SO(3) Lie Group Operations
  • Molecular Dynamics
  • Periodic Boundary Conditions
  • Vibrational Analysis
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