TRIQS: A toolbox for research on interacting quantum systems

Abstract

We present the TRIQS library, a Toolbox for Research on Interacting Quantum Systems. It is an open-source, computational physics library providing a framework for the quick development of applications in the field of many-body quantum physics, and in particular, strongly-correlated electronic systems. It supplies components to develop codes in a modern, concise and efficient way: e.g. Green’s function containers, a generic Monte Carlo class, and simple interfaces to HDF5. TRIQS is a C++/Python library that can be used from either language. It is distributed under the GNU General Public License (GPLv3). State-of-the-art applications based on the library, such as modern quantum many-body solvers and interfaces between density-functional-theory codes and dynamical mean-field theory (DMFT) codes are distributed along with it. Program summaryProgram title: TRIQSCatalogue identifier: AEWR_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEWR_v1_0.htmlProgram obtainable from: CPC Program Library, Queen’s University, Belfast, N. IrelandLicensing provisions: GNU General Public License (GPLv3)No. of lines in distributed program, including test data, etc.: 93228No. of bytes in distributed program, including test data, etc.: 2979367Distribution format: tar.gzProgramming language: C++/Python.Computer: Any architecture with suitable compilers including PCs and clusters.Operating system: Unix, Linux, OSX.RAM: Highly problem-dependentClassification: 7.3, 20.External routines: cmake, mpi, boost, FFTW, GMP, BLAS, LAPACK, HDF5, NumPy, SciPy, h5py, mpi4py, mako.Nature of problem:Need for a modern programming framework to quickly write simple, efficient and higher-level code applicable to the studies of strongly-correlated electron systems.Solution method:We present a C++/Python open-source computational library that provides high-level abstractions for common objects and various tools in the field of quantum many-body physics, thus forming a framework for developing applications.Running time:Tests take less than a minute. Otherwise it is highly problem dependent (from minutes to several days).