stk package

Subpackages

• stk.calculators package
  • Subpackages
    • stk.calculators.ea package
      • Submodules
        • Crossover
          • Making New Crossers
        • Fitness Calculators
          • Making New Fitness Calculators
        • Fitness Normalizers
          • Making New Fitness Normalizers
        • Mutation
          • Making New Mutators
        • Plotting
          • Making New Plotters
        • Selection
          • Making New Selectors
        • Termination
          • Making New Terminators
    • stk.calculators.electronic_property package
      • Available electronic prperty calculators.
      • Extending stk: Making new electronic property calculators.
      • Submodules
    • stk.calculators.energy package
      • Submodules
        • Energy Calculators
          • Making New Energy Calculators
    • stk.calculators.optimization package
      • Submodules
        • Optimizers
          • Making New Optimizers
  • Submodules
    • Base Calculators
    • Compound Calculators
• stk.molecular package
  • Subpackages
    • stk.molecular.molecules package
      • Submodules
        • Building Block
        • Constructed Molecule
    • stk.molecular.topology_graphs package
      • Subpackages
        • stk.molecular.topology_graphs.cage package
          • Submodules
            • Organic Cage
      • Submodules
        • Covalent Organic Framework
        • Host Guest Complex
        • Macrocycle
        • Polymer
        • Rotaxane
        • Adding Topology Graphs
          • Why is both VertexData and Vertex needed?
  • Submodules
    • Functional Groups
      • Adding Functional Groups
    • Extending stk: Adding complex reactions.
• stk.utilities package
  • Submodules

Submodules

• Populations