4.6 Article

The ALPS project release 2.0: open source software for strongly correlated systems

Publisher

IOP PUBLISHING LTD
DOI: 10.1088/1742-5468/2011/05/P05001

Keywords

density matrix renormalization group calculations; classical Monte Carlo simulations; quantum Monte Carlo simulations; quantum phase transitions (theory)

Funding

  1. Pauli Center at ETH Zurich
  2. NSF [PHY-0551164, DMR-0705847]
  3. Aspen Center for Physics
  4. Swiss National Science Foundation
  5. Jeffress Memorial Trust [J-992]
  6. National Science Foundation [PHY-0903457, DMR-0955707]
  7. Golden Energy Computing Organization at the Colorado School of Mines
  8. National Science Foundation
  9. National Renewable Energy Laboratories
  10. Deutsche Forschungsgemeinschaft [SFB 602]
  11. Japan Society for the Promotion of Science [20540364]
  12. MEXT Japan
  13. Army Research Office
  14. DARPA
  15. US Department of Energy
  16. US National Science Foundation
  17. IBM
  18. Grants-in-Aid for Scientific Research [23540438, 20540364] Funding Source: KAKEN
  19. Direct For Mathematical & Physical Scien
  20. Division Of Physics [0903457] Funding Source: National Science Foundation

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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/.

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