S@M, a mathematica implementation of the spinor-helicity formalism

In this paper we present the package S@M (Spinors@Mathematica) which implements the spinor-helicity formalism in Mathematica. The package allows the use of complex-spinor algebra along with the multi-purpose features of Mathematica. The package defines the spinor objects with their basic properties along with functions to manipulate them. It also offers the possibility of evaluating the spinorial objects numerically at every computational step. The package is therefore well suited to be used in the context of on-shell technology, in particular for the evaluation of scattering amplitudes at tree- and loop-level.

Program summary

Program title: S@MCatalogue identifier: AEBF_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEBF_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 14 404No. of bytes in distributed program, including test data, etc.: 77 536Distribution format: tar.gzProgramming language: MathematicaComputer: All computers running MathematicaOperating system: Any system running MathematicaClassification: 4.4, 5, 11.1Nature of problem: Implementation of the spinor-helicity formalismSolution method: Mathematica implementationRunning time: The notebooks provided with the package take only a few seconds to run.     

TiReX: Replica-exchange molecular dynamics using Tinker

We present a driver program for performing replica-exchange molecular dynamics simulations with the Tinker package. Parallelization is based on the Message Passing Interface, with every replica assigned to a separate process. The algorithm is not communication intensive, which makes the program suitable for running even on loosely coupled cluster systems. Particular attention is paid to the practical aspects of analyzing the program output.

Program summary

Program title: TiReXCatalogue identifier: AEEK_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEK_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 43 385No. of bytes in distributed program, including test data, etc.: 502 262Distribution format: tar.gzProgramming language: Fortran 90/95Computer: Most UNIX machinesOperating system: LinuxHas the code been vectorized or parallelized?: parallelized with MPIClassification: 16.13External routines: TINKER version 4.2 or 5.0, built as a libraryNature of problem: Replica-exchange molecular dynamics.Solution method: Each replica is assigned to a separate process; temperatures are swapped between replicas at regular time intervals.Running time: The sample run may take up to a few minutes.     

A completely open source based computing system for computer generation of Fourier holograms

Computer generated holograms are usually generated using commercial software like MATLAB, MATHCAD, Mathematica, etc. This work is an approach in doing the same using freely distributed open source packages and Operating System. A Fourier hologram is generated using this method and tested for simulated and optical reconstruction. The reconstructed images are in good agreement with the objects chosen. The significance of using such a system is also discussed.

Program summary

Program title: FHOLOCatalogue identifier: AEDS_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEDS_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 176 336No. of bytes in distributed program, including test data, etc.: 4 294 872Distribution format: tar.gzProgramming language: C++Computer: any X86 micro computerOperating system: Linux (Debian Etch)RAM: 512 MBClassification: 18Nature of problem: To generate a Fourier Hologram in micro computer only by using open source operating system and packages.Running time: Depends on the matrix size. 10 sec for a matrix of size 256×256.     

Solution of few-body problems with the stochastic variational method II: Two-dimensional systems

A computational approach is presented for efficient solution of two-dimensional few-body problems, such as quantum dots or excitonic complexes, using the stochastic variational method. The computer program can be used to calculate the energies and wave functions of various two-dimensional systems.

Program summary

Program title: svm-2dCatalogue identifier: AEBE_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEBE_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 5091No. of bytes in distributed program, including test data, etc.: 130 963Distribution format: tar.gzProgramming language: Fortran 90Computer: The program should work on any system with a Fortran 90 compilerOperating system: The program should work on any system with a Fortran 90 compilerClassification: 7.3Nature of problem: Variational calculation of energies and wave functions using Correlated Gaussian basis.Solution method: Two-dimensional few-electron problems are solved by the variational method. The ground state wave function is expanded into Correlated Gaussian basis functions and the parameters of the basis states are optimized by a stochastic selection procedure. Accurate results can be obtained for 2-6 electron systems.Running time: A couple of hours for a typical system.     

Motion4D - A library for lightrays and timelike worldlines in the theory of relativity

The Motion4D-library solves the geodesic equation as well as the parallel- and Fermi-Walker-transport in four-dimensional Lorentzian spacetimes numerically. Initial conditions are given with respect to natural local tetrads which are adapted to the symmetries or the coordinates of the spacetime. Beside some already implemented metrics like the Schwarzschild and Kerr metric, the object oriented structure of the library permits to implement other metrics or integrators in a straight forward manner.

Program summary

Program title: Motion4D-libraryCatalogue identifier: AEEX_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEX_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 150 425No. of bytes in distributed program, including test data, etc.: 5 139 407Distribution format: tar.gzProgramming language: C++Computer: All platforms with a C++ compilerOperating system: Linux, Unix, WindowsRAM: 39 MBytesClassification: 1.5External routines: Gnu Scientific Library (GSL) (http://www.gnu.org/software/gsl/)Nature of problem: Solve geodesic equation, parallel and Fermi-Walker transport in four-dimensional Lorentzian spacetimes.Solution method: Integration of ordinary differential equationsRunning time: The test runs provided with the distribution require only a few seconds to run.     

A cascadic monotonic time-discretized algorithm for finite-level quantum control computation

A computer package (CNMS) is presented aimed at the solution of finite-level quantum optimal control problems. This package is based on a recently developed computational strategy known as monotonic schemes.Quantum optimal control problems arise in particular in quantum optics where the optimization of a control representing laser pulses is required. The purpose of the external control field is to channel the system's wavefunction between given states in its most efficient way. Physically motivated constraints, such as limited laser resources, are accommodated through appropriately chosen cost functionals.

Program summary

Program title: CNMSCatalogue identifier: ADEB_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADEB_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 770No. of bytes in distributed program, including test data, etc.: 7098Distribution format: tar.gzProgramming language: MATLAB 6Computer: AMD Athlon 64 × 2 Dual, 2:21 GHz, 1:5 GB RAMOperating system: Microsoft Windows XPWord size: 32Classification: 4.9Nature of problem: Quantum controlSolution method: IterativeRunning time: 60-600 sec     

Resolution of singularities for multi-loop integrals

We report on a program for the numerical evaluation of divergent multi-loop integrals. The program is based on iterated sector decomposition. We improve the original algorithm of Binoth and Heinrich such that the program is guaranteed to terminate. The program can be used to compute numerically the Laurent expansion of divergent multi-loop integrals regulated by dimensional regularisation. The symbolic and the numerical steps of the algorithm are combined into one program.

Program summary

Program title: sector_decompositionCatalogue identifier: AEAG_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAG_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 47 506No. of bytes in distributed program, including test data, etc.: 328 485Distribution format: tar.gzProgramming language: C++Computer: allOperating system: UnixRAM: Depending on the complexity of the problemClassification: 4.4External routines: GiNaC, available from http://www.ginac.de, GNU scientific library, available from http://www.gnu.org/software/gslNature of problem: Computation of divergent multi-loop integrals.Solution method: Sector decomposition.Restrictions: Only limited by the available memory and CPU time.Running time: Depending on the complexity of the problem.     

Visual tool for estimating the fractal dimension of images

This work presents a new Visual Basic 6.0 application for estimating the fractal dimension of images, based on an optimized version of the box-counting algorithm. Following the attempt to separate the real information from “noise”, we considered also the family of all band-pass filters with the same band-width (specified as parameter). The fractal dimension can be thus represented as a function of the pixel color code. The program was used for the study of paintings cracks, as an additional tool which can help the critic to decide if an artistic work is original or not.

Program summary

Program title: Fractal Analysis v01Catalogue identifier: AEEG_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEG_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 29 690No. of bytes in distributed program, including test data, etc.: 4 967 319Distribution format: tar.gzProgramming language: MS Visual Basic 6.0Computer: PCOperating system: MS Windows 98 or laterRAM: 30MClassification: 14Nature of problem: Estimating the fractal dimension of images.Solution method: Optimized implementation of the box-counting algorithm. Use of a band-pass filter for separating the real information from “noise”. User friendly graphical interface.Restrictions: Although various file-types can be used, the application was mainly conceived for the 8-bit grayscale, windows bitmap file format.Running time: In a first approximation, the algorithm is linear.     

QCDMAPT: Program package for Analytic approach to QCD

A program package, which facilitates computations in the framework of Analytic approach to QCD, is developed and described in detail. The package includes both the calculated explicit expressions for relevant spectral functions up to the four-loop level and the subroutines for necessary integrals.

Program summary

Program title: QCDMAPTCatalogue identifier: AEGP_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGP_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 2579No. of bytes in distributed program, including test data, etc.: 180 052Distribution format: tar.gzProgramming language: Maple 9 and higherComputer: Any which supports Maple 9Operating system: Any which supports Maple 9Classification: 11.1, 11.5, 11.6Nature of problem: Subroutines helping computations within Analytic approach to QCD.Solution method: A program package for Maple is provided. It includes both the explicit expressions for relevant spectral functions and the subroutines for basic integrals used in the framework of Analytic approach to QCD.Running time: Template program running time is about a minute (depends on CPU).     

A recursive method to calculate UV-divergent parts at one-loop level in dimensional regularization

A method is introduced to calculate the UV-divergent parts at one-loop level in dimensional regularization. The method is based on the recursion, and the basic integrals are just the scaleless integrals after the recursive reduction, which involve no other momentum scales except the loop momentum itself. The method can be easily implemented in any symbolic computer language, and a implementation in Mathematica is ready to use.Program summaryProgram title: UVPartCatalogue identifier: AELY_v1_0Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AELY_v1_0.htmlProgram obtainable from: CPC Program Library, Queen?s University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 26 361No. of bytes in distributed program, including test data, etc.: 412 084Distribution format: tar.gzProgramming language: MathematicaComputer: Any computer where the Mathematica is running.Operating system: Any capable of running Mathematica.Classification: 11.1External routines: FeynCalc (http://www.feyncalc.org/), FeynArts (http://www.feynarts.de/)Nature of problem: To get the UV-divergent part of any one-loop expression.Solution method: UVPart is a Mathematica package where the recursive method has been implemented.Running time: In general it is below one second.     

Algorithmic derivation of Dyson-Schwinger equations

We present an algorithm for the derivation of Dyson-Schwinger equations of general theories that is suitable for an implementation within a symbolic programming language. Moreover, we introduce the Mathematica package DoDSE¹ which provides such an implementation. It derives the Dyson-Schwinger equations graphically once the interactions of the theory are specified. A few examples for the application of both the algorithm and the DoDSE package are provided.

Program summary

Program title: DoDSECatalogue identifier: AECT_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECT_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 105 874No. of bytes in distributed program, including test data, etc.: 262 446Distribution format: tar.gzProgramming language: Mathematica 6 and higherComputer: all on which Mathematica is availableOperating system: all on which Mathematica is availableClassification: 11.1, 11.4, 11.5, 11.6Nature of problem: Derivation of Dyson-Schwinger equations for a theory with given interactions.Solution method: Implementation of an algorithm for the derivation of Dyson-Schwinger equations.Unusual features: The results can be plotted as Feynman diagrams in Mathematica.Running time: Less than a second to minutes for Dyson-Schwinger equations of higher vertex functions.     

Solving surface structures from normal incidence X-ray standing wave data

A program is provided to determine structural parameters of atoms in or adsorbed on surfaces by refinement of atomistic models towards experimentally determined data generated by the normal incidence X-ray standing wave (NIXSW) technique. The method employs a combination of Differential Evolution Genetic Algorithms and Steepest Descent Line Minimisations to provide a fast, reliable and user friendly tool for experimentalists to interpret complex multidimensional NIXSW data sets.

Program summary

Program title: NIXSW Planewave SolverCatalogue identifier: ADZE_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZE_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 16 874No. of bytes in distributed program, including test data, etc.: 1 631 874Distribution format: tar.gzProgramming language: Borland C++ Builder 5Computer: Any Windows CompatibleOperating system: Windows 2000 and XPRAM: <10 MBClassification: 7.4Nature of problem: Using NIXSW experimental data to calculate atomic positions of adsorbates.Restrictions: Data from substrates must have cubic, tetragonal or orthorhombic crystal structures i.e. with 90° between conventional cell axes.Running time: Seconds-minutes dependant on the number of plane waves and the number of atomic sites.     

Fringe—A Java-based finite fringe analysis package

A package for analysing two-dimensional finite fringe interferograms is described. Through a combination of automatic and interactive routines, an interferogram can be processed to extract the phase shift imparted on the recording light by a transparent object. The package consists of routines to condition and pad the original image for Fourier transform analysis, to filter the image and obtain the phase, to unwrap the phase, and to remove the background phase ramp. A sample image recorded using holographic interferometry is successfully analysed.Program summaryProgram title: FRINGECatalogue identifier: AEMM_v1_0Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEMM_v1_0.htmlProgram obtainable from: CPC Program Library, Queen’s University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 134006No. of bytes in distributed program, including test data, etc.: 4029801Distribution format: tar.gzProgramming language: Java.Computer: Personal Computers.Operating system: Mac OS X, Windows XP, Linux and any other system that can run Java Jar files.RAM: 1GB recommendedClassification: 18.Nature of problem: A standalone multi-platform program to perform analysis of finite fringe interferograms.Solution method: Fourier filtering approach with phase unwrapping and background subtraction.Restrictions: Designed to analyse square images.Running time: Interactive processing takes several minutes. Minimal cpu time.     

Monte Carlo event generator for black hole production and decay in proton-proton collisions - QBH version 1.02

We describe the Monte Carlo event generator for black hole production and decay in proton-proton collisions - QBH version 1.02. The generator implements a model for quantum black hole production and decay based on the conservation of local gauge symmetries and democratic decays. The code in written entirely in C++ and interfaces to the PYTHIA 8 Monte Carlo code for fragmentation and decays.

Program summary

Program title: QBHCatalogue identifier: AEGU_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGU_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 10 048No. of bytes in distributed program, including test data, etc.: 118 420Distribution format: tar.gzProgramming language: C++Computer: x86Operating system: Scientific Linux, Mac OS XRAM: 1 GBClassification: 11.6External routines: PYTHIA 8130 (http://home.thep.lu.se/~torbjorn/pythiaaux/present.html) and LHAPDF (http://projects.hepforge.org/lhapdf/)Nature of problem: Simulate black hole production and decay in proton-proton collision.Solution method: Monte Carlo simulation using importance sampling.Running time: Eight events per second.     

PArthENoPE: Public algorithm evaluating the nucleosynthesis of primordial elements

We describe a program for computing the abundances of light elements produced during Big Bang Nucleosynthesis which is publicly available at http://parthenope.na.infn.it/. Starting from nuclear statistical equilibrium conditions the program solves the set of coupled ordinary differential equations, follows the departure from chemical equilibrium of nuclear species, and determines their asymptotic abundances as function of several input cosmological parameters as the baryon density, the number of effective neutrino, the value of cosmological constant and the neutrino chemical potential. The program requires commercial NAG library routines.

Program summary

Program title: PArthENoPECatalogue identifier: AEAV_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAV_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 10 033No. of bytes in distributed program, including test data, etc.: 46 002Distribution format: tar.gzProgramming language: Fortran 77Computer: PC-compatible running Fortran on Unix, MS Windows or LinuxOperating system: Windows 2000, Windows XP, LinuxClassification: 1.2, 1.9, 17.8External routines: NAG LibrariesNature of problem: Computation of yields of light elements synthesized in the primordial universe.Solution method: BDF method for the integration of the ODEs, implemented in a NAG routine.Running time: 90 sec with default parameters on a Dual Xeon Processor 2.4 GHz with 2 GB RAM.     

LIBERI: Library for numerical evaluation of electron-repulsion integrals

We provide a C library, called LIBERI, for numerical evaluation of four-center electron repulsion integrals, based on successive reduction of integral dimension by using Fourier transforms. LIBERI enables us to compute the integrals for numerically defined basis functions within ¹⁰−5 Hartree accuracy as well as their derivatives with respect to the atomic nuclear positions. Damping of the Coulomb interaction can also be imposed to take account of screening effect.

Program summary

Program title: LIBERICatalogue identifier: AEGG_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGG_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 44 091No. of bytes in distributed program, including test data, etc.: 1 692 085Distribution format: tar.gzProgramming language: CComputer: allOperating system: any Unix-like systemRAM: 5-10 MbClassification: 7.4External routines: Lapack (http://www.netlib.org/lapack/), Blas (http://www.netlib.org/blas/), FFTW3 (http://www.fftw.org/)Nature of problem: Numerical evaluation of four-center electron-repulsion integrals.Solution method: Four-center electron-repulsion integrals are computed for given basis function set, based on successive reduction of integral dimension using Fourier transform.Running time: 0.5 sec for the demo program supplied with the package.     

A web-deployed interface for performing ab initio molecular dynamics, optimization, and electronic structure in Fireball

Fireball is an ab initio technique for fast local orbital simulations of nanotechnological, solid state, and biological systems. We have implemented a convenient interface for new users and software architects in the platform-independent Java language to access Fireball's unique and powerful capabilities. The graphical user interface can be run directly from a web server or from within a larger framework such as the Computational Science and Engineering Online (CSE-Online) environment or the Distributed Analysis of Neutron Scattering Experiments (DANSE) framework. We demonstrate its use for high-throughput electronic structure calculations and a multi-100 atom quantum molecular dynamics (MD) simulation.

Program summary

Program title: FireballUICatalogue identifier: AECF_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECF_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 279 784No. of bytes in distributed program, including test data, etc.: 12 836 145Distribution format: tar.gzProgramming language: JavaComputer: PC and workstationOperating system: The GUI will run under Windows, Mac and Linux. Executables for Mac and Linux are included in the package.RAM: 512 MBWord size: 32 or 64 bitsClassification: 4.14Nature of problem: The set up and running of many simulations (all of the same type), from the command line, is a slow process. But most research quality codes, including the ab initio tight-binding code FIREBALL, are designed to run from the command line. The desire is to have a method for quickly and efficiently setting up and running a host of simulations.Solution method: We have created a graphical user interface for use with the FIREBALL code. Once the user has created the files containing the atomic coordinates for each system that they are going to run a simulation on, the user can set up and start the computations of up to hundreds of simulations.Running time: 3 to 5 minutes on a 2 GHz Pentium IV processor.     

QUBIT4MATLAB V3.0: A program package for quantum information science and quantum optics for MATLAB

A program package for MATLAB is introduced that helps calculations in quantum information science and quantum optics. It has commands for the following operations: (i) Reordering the qudits of a quantum register, computing the reduced state of a quantum register. (ii) Defining important quantum states easily. (iii) Formatted input and output for quantum states and operators. (iv) Constructing operators acting on given qudits of a quantum register and constructing spin chain Hamiltonians. (v) Partial transposition, matrix realignment and other operations related to the detection of quantum entanglement. (vi) Generating random state vectors, random density matrices and random unitaries.

Program summary

Program title:QUBIT4MATLAB V3.0Catalogue identifier:AEAZ_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAZ_v1_0.htmlProgram obtainable from:CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions:Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.:5683No. of bytes in distributed program, including test data, etc.: 37 061Distribution format:tar.gzProgramming language:MATLAB 6.5; runs also on OctaveComputer:Any which supports MATLAB 6.5Operating system:Any which supports MATLAB 6.5; e.g., Microsoft Windows XP, LinuxClassification:4.15Nature of problem: Subroutines helping calculations in quantum information science and quantum optics.Solution method: A program package, that is, a set of commands is provided for MATLAB. One can use these commands interactively or they can also be used within a program.Running time:10 seconds-1 minute     

Program package for multicanonical simulations of U(1) lattice gauge theory

We document our Fortran 77 code for multicanonical simulations of 4D U(1) lattice gauge theory in the neighborhood of its phase transition. This includes programs and routines for canonical simulations using biased Metropolis heatbath updating and overrelaxation, determination of multicanonical weights via a Wang-Landau recursion, and multicanonical simulations with fixed weights supplemented by overrelaxation sweeps. Measurements are performed for the action, Polyakov loops and some of their structure factors. Many features of the code transcend the particular application and are expected to be useful for other lattice gauge theory models as well as for systems in statistical physics.

Program summary

Program title: STMC_U1MUCACatalogue identifier: AEET_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEET_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 18 376No. of bytes in distributed program, including test data, etc.: 205 183Distribution format: tar.gzProgramming language: Fortran 77Computer: Any capable of compiling and executing Fortran codeOperating system: Any capable of compiling and executing Fortran codeClassification: 11.5Nature of problem: Efficient Markov chain Monte Carlo simulation of U(1) lattice gauge theory close to its phase transition. Measurements and analysis of the action per plaquette, the specific heat, Polyakov loops and their structure factors.Solution method: Multicanonical simulations with an initial Wang-Landau recursion to determine suitable weight factors. Reweighting to physical values using logarithmic coding and calculating jackknife error bars.Running time: The prepared tests runs took up to 74 minutes to execute on a 2 GHz PC.     

Generating and using truly random quantum states in Mathematica

The problem of generating random quantum states is of a great interest from the quantum information theory point of view. In this paper we present a package for Mathematica computing system harnessing a specific piece of hardware, namely Quantis quantum random number generator (QRNG), for investigating statistical properties of quantum states. The described package implements a number of functions for generating random states, which use Quantis QRNG as a source of randomness. It also provides procedures which can be used in simulations not related directly to quantum information processing.Program summaryProgram title: TRQSCatalogue identifier: AEKA_v1_0Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEKA_v1_0.htmlProgram obtainable from: CPC Program Library, Queen?s University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 7924No. of bytes in distributed program, including test data, etc.: 88 651Distribution format: tar.gzProgramming language: Mathematica, CComputer: Requires a Quantis quantum random number generator (QRNG, http://www.idquantique.com/true-random-number-generator/products-overview.html) and supporting a recent version of MathematicaOperating system: Any platform supporting Mathematica; tested with GNU/Linux (32 and 64 bit)RAM: Case dependentClassification: 4.15Nature of problem: Generation of random density matrices.Solution method: Use of a physical quantum random number generator.Running time: Generating 100 random numbers takes about 1 second, generating 1000 random density matrices takes more than a minute.