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W-SLDA Toolkit: A self-consistent numerical solver for problems governed by equations formally equivalent to the Bogoliubov-de Gennes framework.

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W-SLDA Toolkit

The W-SLDA Toolkit is a self-consistent solver for mathematical problems whose structure is formally equivalent to the Bogoliubov–de Gennes equations.

The toolkit enables simulations of fermionic superfluids, with a primary focus on ultracold atomic gases. In addition, it can be used to model superconducting systems by solving static and time-dependent Bogoliubov–de Gennes equations within a unified numerical framework. Both static (ground-state) and time-dependent phenomena can be studied. The software is designed and optimized for large-scale simulations involving systems with thousands of particles and is suitable for execution on modern high-performance computing platforms.

Implemented functionalities

  • Solvers: static and time-dependent equations
  • Dimensionality: 1D, 2D, and 3D geometries
  • Energy density functionals: BdG, (A)SLDA, SLDAE, and user-defined custom functionals
  • Temperature regimes: zero-temperature and finite-temperature calculations
  • Spin configurations: spin-balanced and spin-imbalanced systems
  • Mass imbalance: support for unequal particle masses
  • External fields: user-defined external potentials, external pairing fields, external velocity fields, and time- and space-dependent scattering lengths
  • Visualization: integration with the VisIt visualization tool
  • Extensions: templates for data analysis workflows and a Python library for post-processing and data manipulation
  • Accelerated convergence: Broyden mixing, automatic interpolations, and quantum friction techniques
  • Templates-based usage model
  • Results reproducibility: built-in mechanisms for reproducible simulations
  • Data format: support for the W-data format for storing simulation results

Codes

  • td-wslda-3d – solver for time-dependent density functional equations on a full 3D Cartesian mesh
  • td-wslda-2d – solver for time-dependent density functional equations on a 3D Cartesian mesh with translational invariance imposed along the z direction
  • td-wslda-1d – solver for time-dependent density functional equations on a 3D Cartesian mesh with translational invariance imposed along the y and z directions
  • st-wslda-3d – solver for static density functional equations on a full 3D Cartesian mesh; generates initial states for td-wslda-3d
  • st-wslda-2d – solver for static density functional equations with translational invariance along the z direction; generates initial states for td-wslda-3d and td-wslda-2d
  • st-wslda-1d – solver for static density functional equations with translational invariance along the y and z directions; generates initial states for td-wslda-3d, td-wslda-2d, and td-wslda-1d

For a detailed description of the available code types, see Types of codes.

Setting up and building

Installation and build instructions are provided here.

Documentation

For full documentation, usage examples, and tutorials, see the Wiki Pages.

Developers

For the complete list of developers and contributors, see Contributors.

Bug reporting

To report bugs or issues:

Contributing

If you would like to contribute to the W-SLDA Toolkit, please see the CONTRIBUTING.md file for guidelines and further information.

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W-SLDA Toolkit: A self-consistent numerical solver for problems governed by equations formally equivalent to the Bogoliubov-de Gennes framework.

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