pychemia
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  • Introduction
  • Installation
  • Quick Start
  • Global Minimization with Metaheuristics
pychemia
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  • Pychemia’s documentation
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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
Next

© Copyright 2016, Guillermo Avendano-Franco Revision 4ac46903.

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