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  • Code & Results quality

Last edited by Gabriel Wlazłowski Feb 27, 2024
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Code & Results quality

Introduction

The priorities for W-SLDA Toolkit developers are as follow (from highest to lowest):

  1. Correctness of computation.
  2. Performace.
  3. User-friendly interface.

The highest priority is computation correctness, which is the fundamental issue in computational physics.

Links to interesting articles related to code & results quality

  • Does your code stand up to scrutiny?
  • David A. W. Soergel, Rampant software errors may undermine scientific results
  • Zeeya Merali, Computational science: ...Error
  • Jeffrey M. Perkel, How to fix your scientific coding errors
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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