The ALPS project release 2.0: open source software for strongly correlated systems
The ALPS project release 2.0: open source software for strongly correlated systems
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DOI：
10.1088/1742-5468/2011/05/p05001
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发表时间：
2011-05-01
影响因子：
2.4
通讯作者：
Wessel, S.
中科院分区：
文献类型：
--
作者：
Bauer, B.;Carr, L. D.;Wessel, S.
我们介绍了Alps(用于物理模拟的算法和库)项目的2.0版，这是一个开源软件项目，用于开发用于模拟强关联量子晶格模型的库和应用程序，如量子磁体、晶格玻色子和强关联费米子系统。代码开发以通用的XML和HDF5数据格式、简化和加快代码开发的库、通用的评估和绘图工具以及模拟程序为中心。这些程序使非专家能够开始进行串行或并行的数值模拟，提供了量子晶格模型的重要算法的基本实现：使用非局部更新的经典和量子蒙特卡罗(QMC)、扩展的系综模拟、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)，以及动态平均场理论(DMFT)的量子蒙特卡罗解算器。阿尔卑斯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，它极大地简化了将串行代码移植到并行、分布式存储机器上的步骤。版本2.0中的主要变化包括对二进制数据使用HDF5、在Python中使用评估工具、对Windows操作系统的支持、将CMake用作构建系统和Mac OS X和Windows的二进制安装包，以及与VisTrails工作流起源工具的集成。该软件可从我们的Web服务器http://alps.comp-phys.org/.获得
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 programmers 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/.