HypExp, a Mathematica package for expanding hypergeometric functions around integer-valued parameters

We present the Mathematica package HypExp which allows to expand hypergeometric functions around integer parameters to arbitrary order. At this, we apply two methods, the first one being based on an integral representation, the second one on the nested sums approach. The expansion works for both symbolic argument z and unit argument. We also implemented new classes of integrals that appear in the first method and that are, in part, yet unknown to Mathematica.

Program summary

Title of program:HypExpCatalogue identifier:ADXF_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXF_v1_0Program obtainable from: CPC Program Library, Queen's University of Belfast, N. IrelandLicence:noneComputers:Computers running Mathematica under Linux or WindowsOperating system:Linux, WindowsProgram language:MathematicaNo. of bytes in distributed program, including test data, etc.:739 410No. of lines in distributed program, including test data, etc.:89 747Distribution format:tar.gzOther package needed:the package HPL, included in the distributionExternal file required:noneNature of the physical problem:Expansion of hypergeometric functions around integer-valued parameters. These are needed in the context of dimensional regularization for loop and phase space integrals.Method of solution:Algebraic manipulation of nested sums and integral representation.Restrictions on complexity of the problem:Limited by the memory availableTypical running time:Strongly depending on the problem and the availability of libraries.     

The tauola-photos-F environment for the TAUOLA and PHOTOS packages, release II

We present the system for maintaining the versions of two packages: the TAUOLA of τ-lepton decay and PHOTOS for radiative corrections in decays. The following features can be chosen in an automatic or semi-automatic way: (1) format of the common block HEPEVT; (2) version of the physics input (for TAUOLA): as published, as initialized by the CLEO collaboration, as initialized by the ALEPH collaboration (it is suggested to use this version only with the help of the collaboration advice), new optional parametrization of matrix elements in 4π decay channels; (3) type of application: stand-alone, universal interface based on the information stored in the HEPEVT common block including longitudinal spin effects in the elementary Z/γ^∗→τ⁺τ⁻ process, extended version of the standard universal interface including full spin effects in the H/A→τ⁺τ⁻ decay, interface for KKMC Monte Carlo, (4) random number generators; (5) compiler options. The last section of the paper contains documentation of the programs updates introduced over the last two years.

Program summary

Title of program:tauola-photos-F, release IICatalogue identifier:ADXO_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXO_v1_0Programs obtainable from: CPC Program Library, Queen's University of Belfast, N. IrelandComputer: PC running GNU/Linux operating systemProgramming languages and tools used:CPP: standard C-language preprocessor, GNU Make builder tool, also FORTRAN compilerNo. of lines in distributed program, including test data, etc.: 194 118No. of bytes in distributed program, including test data, etc.:2 481 234Distribution format: tar.gzCatalogue identifier:ADXO_v2_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXO_v2_0No. of lines in distributed program, including test data, etc.:308 235No. of bytes in distributed program, including test data, etc.:2 988 363Distribution format:tar.gzDoes the new version supersede the previous version:YesNature of the physical problem: The code of Monte Carlo generators often has to be tuned to the needs of large HEP Collaborations and experiments. Usually, these modifications do not introduce important changes in the algorithm, but rather modify the initialization and form of the hadronic current in τ decays. The format of the event record (HEPEVT common block) used to exchange information between building blocks of Monte Carlo systems often needs modification. Thus, there is a need to maintain various, slightly modified versions of the same code. The package presented here allows the production of ready-to-compile versions of TAUOLA [S. Jadach, Z. Wa?s, R. Decker, J.H. Kühn, Comput. Phys. Comm. 76 (1993) 361; A.E. Bondar, et al., Comput. Phys. Comm. 146 (2002) 139] and PHOTOS [E. Barberio, Z. Wa?s, Comput. Phys. Comm. 79 (1994) 291] Monte Carlo generators with appropriate demonstration programs. The new algorithm, universal interface of TAUOLA to work with the HEPEVT common block, is also documented here. Finally, minor technical improvements of TAUOLA and PHOTOS are also listed.Method of solution: The standard UNIX tool: the C-language preprocessor is used to produce a ready-to-distribute version of TAUOLA and PHOTOS code. The final FORTRAN code is produced from the library of ‘pre-code’ that is included in the package.Reasons for new version: The functionality of the version of TAUOLA and PHOTOS changed over the last two years. The changes, and their reasons, are documented in Section 9, and our new papers cited in this section.Additional comments: The updated version includes new features described in Section 9 of the paper. PHOTOS and TAUOLA were first submitted to the library as separate programs. Summary details of these previous programs are obtainable from the CPC Program Library.Typical running time: Depends on the speed of the computer used and the demonstration program chosen. Typically a few seconds.     

Automatized analytic continuation of Mellin-Barnes integrals

This paper describe a package written in MATHEMATICA that automatizes typical operations performed during evaluation of Feynman graphs with Mellin-Barnes (MB) techniques. The main procedure allows to analytically continue a MB integral in a given parameter without any intervention from the user and thus to resolve the singularity structure in this parameter. The package can also perform numerical integrations at specified kinematic points, as long as the integrands have satisfactory convergence properties. It is demonstrated that, at least in the case of massive graphs in the physical region, the convergence may turn out to be poor, making naïve numerical integration of MB integrals unusable. Possible solutions to this problem are presented, but full automatization in such cases may not be achievable.

Program summary

Title of program: MBProgram summary URL:http://cpc.cs.qub.ac.uk/summaries/ADYG_v1_0Catalogue identifier: ADYG_v1_0Program obtainable from: CPC Program Library, Queen's University of Belfast, N. IrelandComputers: AllOperating systems: AllProgramming language used:MATHEMATICA, Fortran 77 for numerical evaluationMemory required to execute with typical data: Sufficient for a typical installation of MATHEMATICA.No. of lines in distributed program, including test data, etc.: 12 013No. of bytes in distributed program, including test data, etc.: 231 899Distribution format: tar.gzLibraries used:CUBA [T. Hahn, Comput. Phys. Commun. 168 (2005) 78] for numerical evaluation of multidimensional integrals and CERNlib [CERN Program Library, obtainable from: http://cernlib.web.cern.ch/cernlib/] for the implementation of Γ and ψ functions in Fortran.Nature of physical problem: Analytic continuation of Mellin-Barnes integrals in a parameter and subsequent numerical evaluation. This is necessary for evaluation of Feynman integrals from Mellin-Barnes representations.Method of solution: Recursive accumulation of residue terms occurring when singularities cross integration contours. Numerical integration of multidimensional integrals with the help of the CUBA library.Restrictions on the complexity of the problem: Limited by the size of the available storage space.Typical running time: Depending on the problem. Usually seconds for moderate dimensionality integrals.     

Vscape V1.1.0. An interactive tool for metastable vacua

Vscape is an interactive tool for studying the one-loop effective potential of an ungauged supersymmetric model of chiral multiplets. The program allows the user to define a supersymmetric model by specifying the superpotential. The F-terms and the scalar and fermionic mass matrices are calculated symbolically. The program then allows you to search numerically for (meta)stable minima of the one-loop effective potential. Additional commands enable you to further study specific minima, by, e.g., computing the mass spectrum for those vacua. Vscape combines the flexibility of symbolic software, with the speed of a numerical package.

Program summary

Program title:Vscape 1.1.1Catalogue identifier: ADZW_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZW_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.: 80 507No. of bytes in distributed program, including test data, etc.: 6 708 938Distribution format: tar.gzProgramming language: C++Computer: Pentium 4 PC Computers: need (GNU) C++ compiler, Linux standard GNU installation (./configure; make; make install). A precompiled Windows XP version is included in the distribution packageOperating system: Linux, Windows XP using cygwinRAM: 10 MBWord size: 32 bitsClassification: 11.6External routines: GSL (http://www.gnu.org/software/gsl/), CLN (http://www.ginac.de/CLN/), GiNaC (http://directory.fsf.org/GiNaC.html)Nature of problem:Vscape is an interactive tool for studying the one-loop effective potential of an ungauged supersymmetric model of chiral multiplets. The program allows the user to define a supersymmetric model by specifying the superpotential. The F-terms and the scalar and fermionic mass matrices are calculated symbolically. The program then allows you to search numerically for (meta)stable minima of the one-loop effective potential. Additional commands enable you to further study specific minima, by, e.g., computing the mass spectrum for those vacua. Vscape combines the flexibility of symbolic software with the speed of a numerical package.Solution method: Coleman-Weinberg potential is computed using numerical matrix diagonalization. Minima of the one-loop effective potential are found using the Nelder and Mead simplex algorithm. The one-loop effective potential can be studied using numerical differentiation. Symbolic users interface implemented using flex and bison.Restrictions:N=1 supersymmetric chiral models onlyUnusual features: GiNaC (+CLN), GSL, ReadLib (not essential)Running time: Interactive users interface. Most commands execute in a few ms. Computationally intensive commands execute in order of minutes, depending on the complexity of the user defined model.     

spinney: A Form library for helicity spinors

In this work, the library spinney is presented, which provides an implementation of helicity spinors and related algorithms for the symbolical manipulation program Form. The package is well suited for symbolic amplitude calculations both in traditional, Feynman diagram based approaches and unitarity-based techniques.

Program summary

Program title: spinneyCatalogue identifier: AEJQ_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEJQ_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.: 21 128No. of bytes in distributed program, including test data, etc.: 377 589Distribution format: tar.gzProgramming language: FormComputer: Any supporting the Form languageOperating system: Any supporting the Form languageClassification: 4.4, 5, 11.1Nature of problem: Implementation of the spinor-helicity formalismSolution method: Form implementationRunning time: From actual calculations of all six-point one-loop diagrams of the process bounds of 50 ms<t?71 s for the simplest and the most complicated diagram respectively have been derived on an Intel Xeon 3.20 GHz using Form 3.3.     

SuperIso Relic: A program for calculating relic density and flavor physics observables in Supersymmetry

We describe SuperIso Relic, a public program for evaluation of relic density and flavor physics observables in the minimal supersymmetric extension of the Standard Model (MSSM). SuperIso Relic is an extension of the SuperIso program which adds to the flavor observables of SuperIso the computation of all possible annihilation and coannihilation processes of the LSP which are required for the relic density calculation. All amplitudes have been generated at the tree level with FeynArts/FormCalc, and widths of the Higgs bosons are computed with FeynHiggs at the two-loop level. SuperIso Relic also provides the possibility to modify the assumptions of the cosmological model, and to study their consequences on the relic density.

Program summary

Program title: SuperIso RelicCatalogue identifier: AEGD_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGD_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: yesNo. of lines in distributed program, including test data, etc.: 2 274 720No. of bytes in distributed program, including test data, etc.: 6 735 649Distribution format: tar.gzProgramming language: C (C99 Standard compliant) and FortranComputer: 32- or 64-bit PC, MacOperating system: Linux, MacOSRAM: 100 MbClassification: 1.9, 11.6External routines: ISASUGRA/ISAJET and/or SOFTSUSY, FeynHiggsDoes the new version supersede the previous version?: No (AEAN_v2_0)Nature of problem: Calculation of the lightest supersymmetric particle relic density, as well as flavor physics observables, in order to derive constraints on the supersymmetric parameter space.Solution method: SuperIso Relic uses a SUSY Les Houches Accord file, which can be either generated automatically via a call to SOFTSUSY or ISAJET, or provided by the user. This file contains the masses and couplings of the supersymmetric particles. SuperIso Relic then computes the lightest supersymmetric particle relic density as well as the most constraining flavor physics observables. To do so, it calculates first the widths of the Higgs bosons with FeynHiggs, and then it evaluates the squared amplitudes of the diagrams needed for the relic density calculation. These thousands of diagrams have been previously generated with the FeynArts/FormCalc package. SuperIso Relic is able to perform the calculations in different supersymmetry breaking scenarios, such as mSUGRA, NUHM, AMSB and GMSB.Reasons for new version: This version incorporates the calculation of the relic density, which is often used to constrain Supersymmetry.Summary of revisions:

•

Addition of the relic density calculation

•

Replacement of "float" type by "double".

Unusual features: SuperIso Relic includes the possibility of altering the underlying cosmological model and testing the influence of the cosmological assumptions.Additional comments: This program is closely associated with the "SuperIso" program - CPC Program Library, Catalogue Id. AEAN.Running time:Compilation time: a couple of hours for the statically linked version, a few minutes for the dynamically linked version. Running time: about 1 second, or a few seconds if libraries need to be compiled on the fly.     

HypExp 2, Expanding hypergeometric functions about half-integer parameters

In this article, we describe a new algorithm for the expansion of hypergeometric functions about half-integer parameters. The implementation of this algorithm for certain classes of hypergeometric functions in the already existing Mathematica package HypExp is described. Examples of applications in Feynman diagrams with up to four loops are given.

New version program summary

Program title:HypExp 2Catalogue identifier:ADXF_v2_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXF_v2_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.:106 401No. of bytes in distributed program, including test data, etc.:2 668 729Distribution format:tar.gzProgramming language:MathematicaComputer:Computers running MathematicaOperating system:Linux, Windows, MacRAM:Depending on the complexity of the problemSupplementary material:Library files which contain the expansion of certain hypergeometric functions around their parameters are availableClassification:4.7, 5Does the new version supersede the previous version?:YesNature of problem:Expansion of hypergeometric functions about parameters that are integer and/or half-integer valued.Solution method:New algorithm implemented in Mathematica.Reasons for new version:Expansion about half-integer parameters.Summary of revisions:Ability to expand about half-integer valued parameters added.Restrictions:The classes of hypergeometric functions with half-integer parameters that can be expanded are listed below.Additional comments:The package uses the package HPL included in the distribution.Running time:Depending on the expansion.     

The MATHSCOUT Mathematica package to postprocess the output of other scientific programs

mathscout is a mathematica¹ package to postprocess the output of other programs for scientific calculations. We wrote mathscout to import data from a major program for ab initio computational chemistry into mathematica, so that we could postprocess the chemical results. It can be used to import the output of many other packages that are used, e.g. in molecular dynamics, crystallography, spectroscopic analysis, metabolic and physiological modeling, meteorology and other areas of environmental science, cosmology and particle physics. mathscout assigns a name to each table and non-tabular datum that it extracts. This name is constructed mechanically from the identifier or phrase that precedes or follows or embeds the item in the output that mathscout processes. A selection of non-contiguous items, or all the items in a section of the file, or in the entire file are extracted using simple commands. So far, we have focused on our immediate needs to postprocess the output of the Gaussian² program. Calculations on several molecules that illustrate the usage of the package are presented here and in the Supplementary Information. mathscout is shortened to msct in the software.

Program summary

Program title: msct.mCatalogue identifier: ADZQ_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZQ_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.: 30 396No. of bytes in distributed program, including test data, etc.: 1 799 469Distribution format: tar.gzProgramming language: MathematicaComputer: Any computer running unix and MathematicaOperating system: UnixSupplementary material: The Development guideClassification: 4.14, 5, 16.1, 20Nature of problem: Import data from output files of scientific computing packages, such as Gaussian, into Mathematica for symbolic calculation and production of publication quality tables and plots.Solution method: Provision of mnemonic top-down parsing procedures, functional programming.Running time: The complete extraction of data from a small basis density functional calculation on the water molecule, and from a larger basis density functional calculation on the zinc hydrate ion, that ran to 33 iterations, took 1 second and 23 seconds, respectively, on a Dell Poweredge 1750.     

Reduze - Feynman integral reduction in C++

Reduze is a computer program for reducing Feynman integrals to master integrals employing a Laporta algorithm. The program is written in C++ and uses classes provided by the GiNaC library to perform the simplifications of the algebraic prefactors in the system of equations. Reduze offers the possibility to run reductions in parallel.

Program summary

Program title:ReduzeCatalogue identifier: AEGE_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGE_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions:: yesNo. of lines in distributed program, including test data, etc.: 55 433No. of bytes in distributed program, including test data, etc.: 554 866Distribution format: tar.gzProgramming language: C++Computer: AllOperating system: Unix/LinuxNumber of processors used: The number of processors is problem dependent. More than one possible but not arbitrary many.RAM: Depends on the complexity of the system.Classification: 4.4, 5External routines: CLN (http://www.ginac.de/CLN/), GiNaC (http://www.ginac.de/)Nature of problem: Solving large systems of linear equations with Feynman integrals as unknowns and rational polynomials as prefactors.Solution method: Using a Gauss/Laporta algorithm to solve the system of equations.Restrictions: Limitations depend on the complexity of the system (number of equations, number of kinematic invariants).Running time: Depends on the complexity of the system.     

NMscatt: a program for calculating inelastic scattering from large biomolecular systems using classical force-field simulations

Computational tools for normal mode analysis, which are widely used in physics and materials science problems, are designed here in a single package called NMscatt (Normal Modes & scattering) that allows arbitrarily large systems to be handled. The package allows inelastic neutron and X-ray scattering observables to be calculated, allowing comparison with experimental data produced at large scale facilities. Various simplification schemes are presented for analyzing displacement vectors, which are otherwise too complicated to understand in very large systems.

Program summary

Title of program:NMscattCatalogue identifier:ADZA_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZA_v1_0.htmlProgram obtainable from:CPC Program Library, Queen's University of Belfast, N. IrelandLicensing provisions:noNo. of lines in distributed program, including test data, etc.:573 535No. of bytes in distributed program, including test data, etc.:4 516 496Distribution format:tar.gzProgramming language:FORTRAN 77Computer:x86 PCOperating system:GNU/Linux, UNIXRAM:Depends on the system size to be simulatedWord size:32 or 64 bitsClassification:16.3External routines:LAPACKNature of problem: Normal mode analysis, phonons calculation, derivation of incoherent and coherent inelastic scattering spectra.Solution method: Full diagonalization (producing eigen-vectors and eigen-values) of dynamical matrix which is obtained from potential energy function derivation using finite difference method.Running time: About 7 hours per one k-point evaluation in sampling all modes dispersion curves for a system containing 3550 atoms in the unit cell on AMD Athlon 64 X2 Dual Core Processor 4200+.     

EPW: A program for calculating the electron–phonon coupling using maximally localized Wannier functions

EPW (Electron–Phonon coupling using Wannier functions) is a program written in Fortran90 for calculating the electron–phonon coupling in periodic systems using density-functional perturbation theory and maximally localized Wannier functions. EPW can calculate electron–phonon interaction self-energies, electron–phonon spectral functions, and total as well as mode-resolved electron–phonon coupling strengths. The calculation of the electron–phonon coupling requires a very accurate sampling of electron–phonon scattering processes throughout the Brillouin zone, hence reliable calculations can be prohibitively time-consuming. EPW combines the Kohn–Sham electronic eigenstates and the vibrational eigenmodes provided by the Quantum ESPRESSO package (see Giannozzi et al., 2009 [1]) with the maximally localized Wannier functions provided by the wannier90 package (see Mostofi et al., 2008 [2]) in order to generate electron–phonon matrix elements on arbitrarily dense Brillouin zone grids using a generalized Fourier interpolation. This feature of EPW leads to fast and accurate calculations of the electron–phonon coupling, and enables the study of the electron–phonon coupling in large and complex systems.

Program summary

Program title: EPWCatalogue identifier: AEHA_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHA_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: GNU Public LicenseNo. of lines in distributed program, including test data, etc.: 304 443No. of bytes in distributed program, including test data, etc.: 1 487 466Distribution format: tar.gzProgramming language: Fortran 90Computer: Any architecture with a Fortran 90 compilerOperating system: Any environment with a Fortran 90 compilerHas the code been vectorized or parallelized?: Yes, optimized for 1 to 64 processorsRAM: Heavily system dependent, as small as a few MBSupplementary material: A copy of the “EPW/examples” directory containing the phonon binary files can be downloadedClassification: 7External routines: MPI, Quantum-ESPRESSO package [1], BLAS, LAPACK, FFTW. (The necessary Blas, Lapack and FFTW routines are included in the Quantum-ESPRESSO package [1].)Nature of problem: The calculation of the electron–phonon coupling from first-principles requires a very accurate sampling of electron–phonon scattering processes throughout the Brillouin zone; hence reliable calculations can be prohibitively timeconsuming.Solution method: EPW makes use of a real-space formulation and combines the Kohn–Sham electronic eigenstates and the vibrational eigenmodes provided by the Quantum-ESPRESSO package with the maximally localized Wannier functions provided by the wannier90 package in order to generate electron–phonon matrix elements on arbitrarily dense Brillouin zone grids using a generalized Fourier interpolation.Running time: Single processor examples typically take 5–10 minutes.References:

• [1] 

  P. Giannozzi, et al., J. Phys. Condens. Matter 21 (2009), 395502, http://www.quantum-espresso.org/.

     

Sharing electronic structure and crystallographic data with ETSF_IO

We present a library of routines whose main goal is to read and write exchangeable files (NetCDF file format) storing electronic structure and crystallographic information. It is based on the specification agreed inside the European Theoretical Spectroscopy Facility (ETSF). Accordingly, this library is nicknamed ETSF_IO. The purpose of this article is to give both an overview of the ETSF_IO library and a closer look at its usage. ETSF_IO is designed to be robust and easy to use, close to Fortran read and write routines. To facilitate its adoption, a complete documentation of the input and output arguments of the routines is available in the package, as well as six tutorials explaining in detail various possible uses of the library routines.

Program summary

Program title: ETSF_IOCatalogue identifier: AEBG_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEBG_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Gnu Lesser General Public LicenseNo. of lines in distributed program, including test data, etc.: 63 156No. of bytes in distributed program, including test data, etc.: 363 390Distribution format: tar.gzProgramming language: Fortran 95Computer: All systems with a Fortran95 compilerOperating system: All systems with a Fortran95 compilerClassification: 7.3, 8External routines: NetCDF, http://www.unidata.ucar.edu/software/netcdfNature of problem: Store and exchange electronic structure data and crystallographic data independently of the computational platform, language and generating softwareSolution method: Implement a library based both on NetCDF file format and an open specification (http://etsf.eu/index.php?page=standardization)     

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).     

New version of PLNoise: a package for exact numerical simulation of power-law noises

In a recent paper I have introduced a package for the exact simulation of power-law noises and other colored noises [E. Milotti, Comput. Phys. Comm. 175 (2006) 212]: in particular, the algorithm generates 1/fα noises with 0<α?2. Here I extend the algorithm to generate 1/fα noises with 2<α?4 (black noises). The method is exact in the sense that it produces a sampled process with a theoretically guaranteed range-limited power-law spectrum for any arbitrary sequence of sampling intervals, i.e. the sampling times may be unevenly spaced.

Program summary

Title of program: PLNoiseCatalogue identifier:ADXV_v2_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXV_v2_0.htmlLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlProgram obtainable from: CPC Program Library, Queen's University of Belfast, N. IrelandProgramming language used: ANSI CComputer: Any computer with an ANSI C compiler: the package has been tested with gcc version 3.2.3 on Red Hat Linux 3.2.3-52 and gcc version 4.0.0 and 4.0.1 on Apple Mac OS X-10.4Operating system: All operating systems capable of running an ANSI C compilerRAM: The code of the test program is very compact (about 60 Kbytes), but the program works with list management and allocates memory dynamically; in a typical run with average list length 2⋅¹⁰⁴, the RAM taken by the list is 200 KbytesExternal routines: The package needs external routines to generate uniform and exponential deviates. The implementation described here uses the random number generation library ranlib freely available from Netlib [B.W. Brown, J. Lovato, K. Russell: ranlib, available from Netlib, http://www.netlib.org/random/index.html, select the C version ranlib.c], but it has also been successfully tested with the random number routines in Numerical Recipes [W.H. Press, S.A. Teulkolsky, W.T. Vetterling, B.P. Flannery, Numerical Recipes in C: The Art of Scientific Computing, second ed., Cambridge Univ. Press., Cambridge, 1992, pp. 274-290]. Notice that ranlib requires a pair of routines from the linear algebra package LINPACK, and that the distribution of ranlib includes the C source of these routines, in case LINPACK is not installed on the target machine.No. of lines in distributed program, including test data, etc.:2975No. of bytes in distributed program, including test data, etc.:194 588Distribution format:tar.gzCatalogue identifier of previous version: ADXV_v1_0Journal reference of previous version: Comput. Phys. Comm. 175 (2006) 212Does the new version supersede the previous version?: YesNature of problem: Exact generation of different types of colored noise.Solution method: Random superposition of relaxation processes [E. Milotti, Phys. Rev. E 72 (2005) 056701], possibly followed by an integration step to produce noise with spectral index >2.Reasons for the new version: Extension to 1/fα noises with spectral index 2<α?4: the new version generates both noises with spectral with spectral index 0<α?2 and with 2<α?4.Summary of revisions: Although the overall structure remains the same, one routine has been added and several changes have been made throughout the code to include the new integration step.Unusual features: The algorithm is theoretically guaranteed to be exact, and unlike all other existing generators it can generate samples with uneven spacing.Additional comments: The program requires an initialization step; for some parameter sets this may become rather heavy.Running time: Running time varies widely with different input parameters, however in a test run like the one in Section 3 in the long write-up, the generation routine took on average about 75 μs for each sample.     

PLNoise: a package for exact numerical simulation of power-law noises

Many simulations of stochastic processes require colored noises: here I describe a small program library that generates samples with a tunable power-law spectral density: the algorithm can be modified to generate more general colored noises, and is exact for all time steps, even when they are unevenly spaced (as may often happen in the case of astronomical data, see e.g. [N.R. Lomb, Astrophys. Space Sci. 39 (1976) 447]. The method is exact in the sense that it reproduces a process that is theoretically guaranteed to produce a range-limited power-law spectrum 1/f1+β with −1<β?1. The algorithm has a well-behaved computational complexity, it produces a nearly perfect Gaussian noise, and its computational efficiency depends on the required degree of noise Gaussianity.

Program summary

Title of program: PLNoiseCatalogue identifier:ADXV_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXV_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University of Belfast, N. IrelandLicensing provisions: noneProgramming language used: ANSI CComputer: Any computer with an ANSI C compiler: the package has been tested with gcc version 3.2.3 on Red Hat Linux 3.2.3-52 and gcc version 4.0.0 and 4.0.1 on Apple Mac OS X-10.4Operating system: All operating systems capable of running an ANSI C compilerNo. of lines in distributed program, including test data, etc.:6238No. of bytes in distributed program, including test data, etc.:52 387Distribution format:tar.gzRAM: The code of the test program is very compact (about 50 Kbytes), but the program works with list management and allocates memory dynamically; in a typical run (like the one discussed in Section 4 in the long write-up) with average list length 2⋅¹⁰⁴, the RAM taken by the list is 200 Kbytes.External routines: The package needs external routines to generate uniform and exponential deviates. The implementation described here uses the random number generation library ranlib freely available from Netlib [B.W. Brown, J. Lovato, K. Russell, ranlib, available from Netlib, http://www.netlib.org/random/index.html, select the C version ranlib.c], but it has also been successfully tested with the random number routines in Numerical Recipes [W.H. Press, S.A. Teulkolsky, W.T. Vetterling, B.P. Flannery, Numerical Recipes in C: The Art of Scientific Computing, second ed., Cambridge Univ. Press, Cambridge, 1992, pp. 274-290]. Notice that ranlib requires a pair of routines from the linear algebra package LINPACK, and that the distribution of ranlib includes the C source of these routines, in case LINPACK is not installed on the target machine.Nature of problem: Exact generation of different types of Gaussian colored noise.Solution method: Random superposition of relaxation processes [E. Milotti, Phys. Rev. E 72 (2005) 056701].Unusual features: The algorithm is theoretically guaranteed to be exact, and unlike all other existing generators it can generate samples with uneven spacing.Additional comments: The program requires an initialization step; for some parameter sets this may become rather heavy.Running time: Running time varies widely with different input parameters, however in a test run like the one in Section 4 in this work, the generation routine took on average about 7 ms for each sample.     

2HDMC - two-Higgs-doublet model calculator

We describe the public C++ code 2HDMC which can be used to perform calculations in a general, CP-conserving, two-Higgs-doublet model (2HDM). The program features simple conversion between different parametrizations of the 2HDM potential, a flexible Yukawa sector specification with choices of different Z₂-symmetries or more general couplings, a decay library including all two-body - and some three-body - decay modes for the Higgs bosons, and the possibility to calculate observables of interest for constraining the 2HDM parameter space, as well as theoretical constraints from positivity and unitarity. The latest version of the 2HDMC code and full documentation is available from: http://www.isv.uu.se/thep/MC/2HDMC.

Program summary

Program title:2HDMCCatalogue identifier: AEFI_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFI_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: GNU GPLNo. of lines in distributed program, including test data, etc.: 12 032No. of bytes in distributed program, including test data, etc.: 90 699Distribution format: tar.gzProgramming language: C++Computer: Any computer running LinuxOperating system: LinuxRAM: 5 MbClassification: 11.1External routines: GNU Scientific Library (http://www.gnu.org/software/gsl/)Nature of problem: Determining properties of the potential, calculation of mass spectrum, couplings, decay widths, oblique parameters, muon g−2, and collider constraints in a general two-Higgs-doublet model.Solution method: From arbitrary potential and Yukawa sector, tree-level relations are used to determine Higgs masses and couplings. Decay widths are calculated at leading order, including FCNC decays when applicable. Decays to off-shell vector bosons are obtained by numerical integration. Observables are computed (analytically or numerically) as function of the input parameters.Restrictions: CP-violation is not treated.Running time: Less than 0.1 s on a standard PC     

An object-oriented C++ implementation of Davidson method for finding a few selected extreme eigenpairs of a large, sparse, real, symmetric matrix

A C++ class named Davidson is presented for determining a few eigenpairs with lowest or alternatively highest values of a large, real, symmetric matrix. The algorithm described by Stathopoulos and Fischer is used. The exception mechanism is involved to report the errors. The class is written in ANSI C++, so it is fully portable. In addition a console program as well as a program with graphical user interface for Microsoft Windows is attached, which allow one to calculate the lowest eigenstates of time-independent Schrödinger equation for a given binding potential in one, two or three spatial dimensions. The package contains the classes providing often used potential functions (model atom potential, Coulomb potential, square well potential and Kramers-Henneberger well potential) as well as a possibility to use any potential stored in a file (then any dimensionality of the problem is allowed).The described code is the subject of M.Sc. thesis of T.D. prepared under the supervision of J.M.

Program summary

Program title: DavidsonCatalogue identifier: ADZM_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZM_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.: 3 037 055No. of bytes in distributed program, including test data, etc.: 20 002 609Distribution format: tar.gzProgramming language: C++Computer: AllOperating system: AnyRAM: User's parameters dependentWord size: 32 and 64 bitsSupplementary material: Test results for the 2D and 3D cases is availableClassification: 4, 4.8Nature of problem: Finding a few extreme eigenpairs of a real, symmetric, sparse matrix. Examples in quantum optics (interaction of matter with a laser field).Solution method: Davidson algorithmRunning time: The test example included in the distribution package (1D matrix) takes approximately 30 minutes to run. 2D matrix calculations can take hours and 3D, days, to run.