ALPS项目2.0版:强相关系统的开源软件
The ALPS project release 2.0: Open source software for strongly correlated systems
摘要:
我们目前发布的ALPS(算法和库物理模拟)项目,一个开源软件项目,开发库和应用程序的强相关量子晶格模型,如量子磁体,格子玻色子和强相关费米子系统的模拟2.0。代码开发集中在通用XML和HDF5数据格式、简化和加速代码开发的库、通用评估和绘图工具以及仿真程序。这些程序使非专家能够通过提供量子晶格模型的重要算法的基本实现来开始进行串行或并行数值模拟:使用非局部更新的经典和量子蒙特卡罗(QMC)、扩展系综模拟、精确和完全对角化(ED)、静态版本和动态时间演化块抽取(TEBD)代码中的密度矩阵重整化群(DMRG),以及用于动力学平均场论(DMFT)的量子蒙特卡罗解算器。ALPS库为程序员开发自己的应用程序提供了一个强大的框架,例如,它大大简化了将串行代码移植到并行分布式内存机器上的步骤。2.0版的主要变化包括使用HDF5处理二进制数据,Python中的评估工具,对Windows操作系统的支持,使用CMake作为Mac OS X和Windows的构建系统和二进制安装包,以及与VisTrails工作流出处工具的集成。该软件可从我们的网络服务器http://alps.comp-phys.org/获得。
英文摘要:
We present release 2.0 of the ALPS (Algorithms and Libraries for Physics Simulations) project, an open source software project to develop libraries and application programs for the simulation of strongly correlated quantum lattice models such as quantum magnets, lattice bosons, and strongly correlated fermion systems. The code development is centered on common XML and HDF5 data formats, libraries to simplify and speed up code development, common evaluation and plotting tools, and simulation programs. The programs enable non-experts to start carrying out serial or parallel numerical simulations by providing basic implementations of the important algorithms for quantum lattice models: classical and quantum Monte Carlo (QMC) using non-local updates, extended ensemble simulations, exact and full diagonalization (ED), the density matrix renormalization group (DMRG) both in a static version and a dynamic time-evolving block decimation (TEBD) code, and quantum Monte Carlo solvers for dynamical mean field theory (DMFT). The ALPS libraries provide a powerful framework for programers to develop their own applications, which, for instance, greatly simplify the steps of porting a serial code onto a parallel, distributed memory machine. Major changes in release 2.0 include the use of HDF5 for binary data, evaluation tools in Python, support for the Windows operating system, the use of CMake as build system and binary installation packages for Mac OS X and Windows, and integration with the VisTrails workflow provenance tool. The software is available from our web server at http://alps.comp-phys.org/.
机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。