W-SLDA工具包：超冷费米气体的模拟平台
W-SLDA Toolkit: A simulation platform for ultracold Fermi gases
AI总结：
W-SLDA工具包通过密度泛函理论框架提供超冷费米气体的模拟平台，支持多种物理系统并确保计算结果的透明性和可重复性。
摘要：
我们介绍了W-SLDA工具包，这是一个通用的软件包，用于在密度泛函理论及其时间依赖扩展框架内模拟超冷费米气体。该工具包能够对跨越BCS-BEC交叉点的相互作用超流系统进行完全微观研究，包括自旋不平衡配置和任意外部几何形状。它提供了静态和时间依赖求解器，能够描述一维、二维和三维设置中的广泛现象。此外，该工具包还包含解决标准博利约-德基因方程的功能，以描述费米子，将其适用性扩展到其他物理系统，如超导体。该代码用C语言实现，具有GPU加速，并优化了在现代高性能计算平台上的混合CPU/GPU执行。它确保在领导级超级计算机上的可扩展性，能够进行具有大原子数的完全三维模拟，并允许对超冷原子实验设置进行直接基准测试。其模块化架构使扩展、用户自定义和与其他科学软件框架的无缝互操作性变得容易。此外，通过集成的可重复性包功能提供了一套广泛的实用使用示例，确保计算结果的透明性和可重复性。
英文摘要：
We present the W-SLDA Toolkit, a general-purpose software package for simulating ultracold Fermi gases within the framework of density functional theory and its time-dependent extensions. The toolkit enables fully microscopic studies of interacting superfluid systems across the BCS-BEC crossover, including spin-imbalanced configurations and arbitrary external geometries. It provides both static and time-dependent solvers capable of describing a broad range of phenomena in one-, two-, and three-dimensional settings. In addition, the toolkit incorporates functionality for solving the standard Bogoliubov-de Gennes equations for fermions, extending its applicability to other physical systems such as superconductors. The code is implemented in C with GPU acceleration and is optimized for hybrid CPU/GPU execution on modern high-performance computing platforms. It ensures scalability on leadership-class supercomputers, enabling fully three-dimensional simulations with large atomic numbers, and allows for direct benchmarks of ultracold-atom experimental setups. Its modular architecture facilitates straightforward extensions, user customization, and seamless interoperability with other scientific software frameworks. Furthermore, an extensive collection of practical usage examples is provided through the integrated reproducibility packs functionality, ensuring transparency and reproducibility of computational results.
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