The ALPS Project: Open Source Software for Quantum Lattice Models

A. Fabricio Albuquerque, Fabien Alet, Philippe Corboz +25 more

Fabien Alet, P. Dayal, Axel Grzesik +15 more

We present the ALPS (Algorithms and Libraries for Physics Simulations) project, an international 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. Development is centered on common XML and binary data formats, on libraries to simplify and speed up code development, and on full-featured simulation programs. The programs enable non-experts to start carrying out 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), as well as the density matrix renormalization group (DMRG). The software is available from our web server at http://alps.comp-phys.org.

Bela Bauer, Lincoln D. Carr, H G Evertz +29 more

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/ .

F. Alet, T. Chen, A. Feiguin +16 more

We present release 3.0 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. As in previous releases, development is centered on common data formats, on libraries to simplify and speed up code development, and on full-featured simulation programs that let non-experts carry out serial or parallel numerical simulations using 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), and continuous-time QMC solvers for dynamical mean-field theory (DMFT). Major changes in release 3.0 include distribution of the pyalps binary through the Python Package Index (pip install pyalps) and through Spack for HPC systems; migration of development to GitHub with continuous integration and automated testing; relicensing of the package under the permissive MIT license; a rebuilt documentation and tutorial website, including a set of Jupyter-notebook tutorials and localized content; a broad modernization of the C++ codebase (C++17 compliance, Boost and NumPy 2.0 compatibility, and warning and dead-code cleanup) together with a major DMRG update and associated reliability and build-compatibility fixes; the removal of legacy components (the VisTrails provenance integration and the TEBD, MPS, and directed-worm-algorithm application codes); archival of release 3.0.0 with a Zenodo DOI; and a formal governance and sustainability model developed under the US National Science Foundation (NSF) POSE program. The software is available at https://alps.comp-phys.org.

Tyler Bryant, Marcos Rigol, Rajiv R. P. Singh

Martin J. Savage A