Pylada-light documentation

Pylada-light is a python framework for high throughput computational materials science. It is a simplified version of the original pylada, which itself came from a tool called lada. These tools were developed primarily at the United States Department of Energy’s National Renewable Energy Laboratory.

Contents:

• About
• User Guide
  • Compiling and installing
  • Setting up Pylada
  • Testing
  • Creating and Manipulating crystal structures
  • Interface to VASP
  • Organized high-thoughput calculations: job-folders
  • IPython high-throughput interface
  • NREL Mat DB database interface
  • NREL Scheduler interface
• Examples
  • Superlattices
  • Surfaces
  • Total energy calculations
  • GW calculations
  • Defect calculations
  • Working with a database
  • Further examples
• Python API
  • Configuration variables
  • pylada.crystal
  • pylada.error
  • pylada.jobfolder
  • pylada.process
  • pylada.vasp

Indices and tables

• Index
• Module Index
• Search Page