Pychemia’s documentation

Contents:

• Introduction
• Installation
  • Quick and Simple
  • Installing PyChemia with pip
  • Installing PyChemia with virtualenv
  • Installing PyChemia from github
  • Dependencies
  • Importing the library
  • Testing with nose
• Quick Start
  • Element
  • Composition
  • Structure
  • Lattice
• Global Minimization with Metaheuristics
  • Global Minimimization of Lennard-Jones Clusters
    • Quick version
  • PyChemia Software Framework
    • Structural Search Methods
      • Minima Hoping Method
      • Metaheuristics
    • Storage and Databases
    • Data Mining or Knowledge Discovery in Data
      • Bayesian networks and Gaussian Processes
    • Reporting and Visualization
    • Execution and Analysis
  • Optimization of Magnetic Moments (VASP)
  • Global optimization of correlation matrices for DFT+U (Abinit)
    • The variable dmatpawu
    • The population

Indices and tables

• Index
• Module Index
• Search Page