Welcome to Kvazar’s documentation!

Contents:

• Modules for modeling of molecular structure
  • Module for class ‘Structure’
  • Module of class for structure loading and saving
  • Module for saving output file
• Modules of methods of calculation
  • Tight-Binding method
  • Molecular mechanics
  • Reactive empirical bond order potential
  • Adaptive intermolecular reactive empirical bond order potential
  • Coarse-grained modeling
• Modules of algorithms of calculations
  • Diesel
    • Periodic Boundary Conditions
• User’s guide

Indices and tables

• Index
• Module Index
• Search Page