Gabriel WlazłowskiGeneral info
- Types of codes
- Installing the toolkit
- Converting the toolkit to HIP
- Folders structure
- Code & Results quality
- Results reproducibility
- W-data format
- Integration with VisIt
- Auxiliary tools and extensions
- API version
- C and CUDA
Using codes
- Setting up calculations
- Units
- Computational domain
- Physical quantities: energies, densities, potentials
- Energy functionals
- Regularization schemes of the pairing field
- Strict 2D or 1D modes
- External potentials
- User-defined parameters
- Setting reference scales
- Finite temperature calculations
- Output files
- Logger
- Global variables
- Checking correctness of settings
- Campaign of calculations
Static codes (st-wslda)
- Workflow chart
- Setting up diagonalization engine
- Parallelization scheme
- Memory usage
- Initialization of the solver
- Controlling convergence
- Fixed particle number vs fixed chemical potentials
- Constraining densities and potentials
- Broyden algorithm
- Automatic interpolations
- Timing of static code
- Usage examples
Time-dependent codes (td-wslda)
- Workflow chart
- Paralellization scheme
- Configuring GPU machine
- Estimation of the number of needed GPUs
- Integration scheme
- Starting the integration process
- Initialization of the solver
- Monitoring of conservation laws
- Quantum friction
- Noise filtering
- Stabilization of (A)SLDA functional
- Tracking of selected states
- Benchmarks
- Usage examples
Extensions
- W-SLDA Toolkit API
- List of templates and example codes
- Processing of wave-functions generated by static codes
- Testsuite
- Helmholtz decomposition code