Gabriel WlazłowskiGeneral info
- Types of codes
- Installing the toolkit
- Folders structure
- Results reproducibility
- W-data format
- Integration with VisIt
- Auxiliary tools
Using codes
- Units
- Setting up calculations
- Computation domain
- Accessing physical quantities
- Functionals
- External potentials
- User defined parameters
- Setting reference scales
- Finite temperature calculations
- C and CUDA
- Output files
- Logger
- Global variables
- Checking correctness of settings
Static codes (st-wslda)
- Parallelization scheme
- Setting up diagonalization engine & Benchmarks
- Memory usage
- Initialization of the solver
- Constraining densities and potentials
- Controlling convergence
- Broyden algorithm
- Fixed particle number and fixed chemical potential modes
- Strict 2D or 1D modes
- Examples
Time-dependent codes (td-wslda)
- Paralellization scheme
- Configuring GPU machine
- Benchmarks
- Integration scheme - ABM algorithm
- Initialization of the solver
- Starting ABM algorithm
Extensions
- W-SLDA Toolkit API
- List of templates and example codes
- Processing of wave-functions generated by static codes