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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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
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Index
Module Index
Search Page
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