Updated core libraries of the ALPS project

Abstract The open source ALPS (Algorithms and Libraries for Physics Simulations) project provides a collection of physics libraries and applications, with a focus on simulations of lattice models and strongly correlated systems. The libraries provide a convenient set of well-documented and reusable components for developing condensed matter physics simulation code, and the applications strive to make commonly used and proven computational algorithms available to a non-expert community. In this paper we present an updated and refactored version of the core ALPS libraries geared at the computational physics software development community, rewritten with focus on documentation, ease of installation, and software maintainability. Program summary Program Title: ALPS Core libraries Program Files doi: http://dx.doi.org/10.17632/fckj5d7wtr.1 Programming language: C++ Licensing provisions: GNU GPLv3 Nature of problem: Need for modern, lightweight, tested and documented libraries covering the basic requirements of rapid development of efficient physics simulation codes, especially for modeling strongly correlated electron systems. Solution method: We present a C++ open source computational library that provides a convenient set of components for developing parallel physics simulation code. The library features a short development cycle and up-to-date user documentation. External routines/libraries: CMake , MPI , Boost , HDF5 .

[1]  H. Hotelling.  The Generalization of Student’s Ratio , 1931 .

[3]  M. Troyer,et al.  Supersolid phase with cold polar molecules on a triangular lattice. , 2009, Physical review letters.

[4]  Message Passing Interface Forum.  MPI: A message - passing interface standard , 1994 .

[5]  Emanuel Gull,et al.  Hypothesis testing of scientific Monte Carlo calculations. , 2017, Physical review. E.

[6]  S. Todo,et al.  The ALPS project release 2.0: open source software for strongly correlated systems , 2011, 1101.2646.

[7]  Martin Eckstein,et al.  Thermalization after an interaction quench in the Hubbard model. , 2009, Physical review letters.

[8]  Wei Ku,et al.  Electronic Excitations in Metals and Semiconductors: Ab Initio Studies of Realistic Many-Particle Systems , 2000 .

[9]  Hiroshi Shinaoka,et al.  Continuous-time hybridization expansion quantum impurity solver for multi-orbital systems with complex hybridizations , 2016, Comput. Phys. Commun..

[10]  Harald O. Jeschke,et al.  LDA + DMFT study of the effects of correlation in LiFeAs , 2011, 1111.1620.

[11]  Rupert G. Miller.  The jackknife-a review , 1974 .

[12]  Andrey E. Antipov,et al.  Solutions of the Two-Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms , 2015, 1505.02290.

[13]  Fabrizio Valpreda,et al.  GNU General Public License , 2012 .

[14]  A. Honecker,et al.  The ALPS Project: Open Source Software for Strongly Correlated Systems , 2004, cond-mat/0410407.

[15]  P. Cochat,et al.  Et al , 2008, Archives de pediatrie : organe officiel de la Societe francaise de pediatrie.

[16]  Richard M. Stallman,et al.  Using the GNU Compiler Collection , 2010 .

[17]  Emanuel Gull,et al.  Superconductivity and the pseudogap in the two-dimensional Hubbard model. , 2012, Physical review letters.

[18]  Emanuel Gull,et al.  Chebyshev polynomial representation of imaginary-time response functions , 2018, Physical Review B.

[19]  Philipp Werner,et al.  Diagrammatic Monte Carlo simulation of nonequilibrium systems , 2008, 0810.2345.

[20]  Leon Balents,et al.  Order-by-disorder and spiral spin-liquid in frustrated diamond-lattice antiferromagnets , 2006, cond-mat/0612001.

[21]  Hartmut Hafermann,et al.  Orthogonal polynomial representation of imaginary-time Green’s functions , 2011, 1104.3215.

[22]  A. Honecker,et al.  The ALPS project release 1.3: Open-source software for strongly correlated systems , 2007 .

[23]  Hartmut Kaiser,et al.  HPX: A Task Based Programming Model in a Global Address Space , 2014, PGAS.

[24]  Matthias Troyer,et al.  Continuous-time solver for quantum impurity models. , 2005, Physical review letters.

[25]  Santiago Alvarez,et al.  Theoretical study of exchange coupling in 3d-Gd complexes: large magnetocaloric effect systems. , 2012, Journal of the American Chemical Society.

[26]  Emanuel Gull,et al.  Continuous-time auxiliary-field Monte Carlo for quantum impurity models , 2008, 0802.3222.

[27]  M. Petró‐Turza,et al.  The International Organization for Standardization. , 2003 .

[28]  Kent L. Beck,et al.  Test-driven Development - by example , 2002, The Addison-Wesley signature series.

[29]  Kent L. Beck,et al.  Extreme programming explained - embrace change , 1990 .