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General info

• [Types of codes](Types of codes)
• [Installing the toolkit](Installing the toolkit)
• [Converting the toolkit to HIP](Converting the toolkit to HIP)
• [Folders structure](Folders structure)
• [Code & Results quality](Code & Results quality)
• [Results reproducibility](Results reproducibility)
• W-data format
  • Format concept
  • C examples
  • Python interface
  • Python examples
• Integration with VisIt
  • [Visualising 2D data](VisIt with 2D data)
  • [Visualising 1D data](VisIt with 1D data)
• [Auxiliary tools](Auxiliary tools)

Using codes

• Units
• [Setting up calculations](Setting up calculations)
• [API version](API version)
• [Computation domain](Computation domain)
• [Accessing physical quantities](Physical quantities)
• Functionals
• [Regularization schemes of the pairing field](Regularization schemes of the pairing field)
• [External potentials](External potentials)
• [User defined parameters](User defined parameters)
• [Setting reference scales](Reference scales)
• [Finite temperature calculations](Finite temperature calculations)
• [C and CUDA](C and CUDA)
• [Output files](Output files)
• Logger
• [Global variables](Global variables)
• [Checking correctness of settings](Checking correctness of settings)
• [Campaign of calculations](Campaign of calculations)

Static codes (st-wslda)

• [Workflow chart](st workflow chart)
• [Parallelization scheme](Parallelization scheme of static codes)
• [Setting up diagonalization engine & Benchmarks](Setting up diagonalization engine)
• [Memory usage](Memory usage of st-wslda)
• [Initialization of the solver](Initialization of the st-wslda solvers)
• [Constraining densities and potentials](Constraining densities and potentials)
• [Controlling convergence](Convergence control)
• [Broyden algorithm](Broyden algorithm)
• [Fixed particle number and fixed chemical potential modes](Chemical potentials control)
• [Automatic interpolations](Automatic interpolations)
• [Strict 2D or 1D modes](Strict 2D or 1D mode)
• [Timing of static code](Timing of static code)
• Examples

Time-dependent codes (td-wslda)

• [Workflow chart](td workflow chart)
• [Paralellization scheme](Paralellization scheme of time-dependent codes)
• [Configuring GPU machine](Configuring GPU machine)
• [Estimation of the number of needed GPUs](Estimation of the number of needed GPUs)
• [Benchmarks](td-wslda benchmarks)
• [Integration scheme - ABM algorithm](Integration scheme)
• [Initialization of the solver](Initialization of the td-wslda solvers)
• [Starting ABM algorithm](Starting ABM algorithm)
• [Quantum friction](Quantum friction)
• [Noise filtering](Noise filtering)
• [Stabilization of ASLDA functional](Stabilization of ASLDA functional)
• [Tracking of selected states](Tracking of selected states)
• [Monitoring of conservation laws](Monitoring of conservation laws)
• Examples

Extensions

• [W-SLDA Toolkit API](W-SLDA Toolkit API)
• [List of templates and example codes](List of templates and example codes)
• [Processing of wave-functions generated by static codes](Processing of wave-functions)
• Testsuite
• [Helmholtz decomposition code](Helmholtz decomposition code)

Performance

• Summit
• [Piz Daint](Piz Daint)

Troubleshooting

• [Common failures of static codes](Common failures of static codes)
• [Common failures of time-dependent codes](Common failures of time-dependent codes)
• [Browsing the code](Browsing the code)