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  • Reproduction of calculations

Last edited by Gabriel Wlazłowski Mar 26, 2025
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Reproduction of calculations

1. Get the code

Check one of the provided *.h files to determine the version of code that should be used to reproduce the results. In general, W-SLDA assures backward compatibility and it most cases you can use the latest version o the code. See here for list of releases.

2. Create a working folder

Use template folders (st-project-template or td-project-template) to create empty project.

3. Overwrite user-defined files

Overwrite the user-defined files *.h and the input file by those provided in the reproducibility pack.

Clone repository
  • API version
  • Automatic interpolations
  • Auxiliary tools
  • Browsing the code
  • Broyden algorithm
  • C and CUDA
  • Campaign of calculations
  • Checking correctness of settings
  • Chemical potentials control
  • Code & Results quality
  • Common failures of static codes
  • Common failures of time dependent codes
  • Computation domain
  • Configuring GPU machine
  • Constraining densities and potentials
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