Fireball’s documentation

Contents:

• Introduction
• Installation
• Quick Start
• Driver: Begin
  • Running the BEGIN Module
    • 5.0 Some notes about exchange-correlation
    • 5.1 Building the executables
    • 5.2 Getting started - setting up the sub-directories and pseudo-potential files
    • 5.3 Finding the cutoffs - begin-looprc.x
    • 5.4 Calculating the wave-functions - begin.x
    • 5.5 Excited states and polarization states
    • 5.6 Optimized wave-functions
    • 5.7 Plotting the results
    • Acknowledgements
    • References
  • Installation
  • Usage
  • Tutorials
  • Technical information
• Driver: Create
  • 4 Introduction
    • 4.1 Pre-computing the interactions
    • 4.2 Parallel scalability
    • 4.3 Three-center interactions
  • 5 Running the CREATE Program
    • 5.0 Some notes about exchange-correlation
    • 5.1 Building the executables
    • 5.2 Getting started - setting up the input and output sub-directories
    • Acknowledgements
    • References
    • Installation
    • Usage
    • Tutorials
    • Technical information
• Driver: Fireball
  • Installation
  • Usage
  • Tutorials
  • Technical information
• Driver: Lightning
  • Installation
  • Usage
  • Tutorials
  • Technical information
• 8. Development
  • Repositories
  • Continuos Integration
  • Test driven development
  • Code Coverage
  • Performance

Indices and tables

• Index
• Module Index
• Search Page