Moltools documentation

moltools is a package of scripts and modules I use daily in my research as a Ph.D. student to ease setting up and analyzing calculations.

Contents:

• Requirements
• Installation
  • Linux
• Modules
  • molecules.py
    • Atom
    • Molecule
    • Water
    • Rotator
    • Property
    • Cluster
  • use_generator.py
  • use_calculator.py
  • template.py
  • read_dal.py
• Testing
• Bugs