A REDUCE package for finding conserved densities of systems of implicit difference-difference equations

A computer algebra program for finding polynomial conserved densities of implicit difference-difference equations is presented. The algorithm is based on scaling properties and implemented in computer algebra system REDUCE. The package is applicable to systems of any number of nonlinear difference-difference equations of polynomial type.

Program summary

Title of program: TXCDCatalogue identifier: ADTSProgram summary URL:http://cpc.cs.qub.ac.uk/summaries/ADTSProgram obtainable from: CPC Program Library, Queen's University of Belfast, N. IrelandComputers: PC/AT compatible machineOperating systems: Windows 2000Programming language used: REDUCE 3.6, RLISPMemory required to execute with typical data: Depends on the problem, minimum about 2 M bytes.No. of bits in a word: 32No. of bytes in distributed program, including test data, etc.: 10 005No. of lines in distributed program, including test data, etc.: 1739Distribution format: tar gzip fileNature of physical problem: The existence of conserved densities for difference-difference equations is of interest for their classification and for understanding the stability of their solutions.Restriction on the complexity of the problem: The program can handle difference-difference equations which can be transformed to polynomial ones, and determine the homogeneous conservation laws.Typical running time: It depends on the equation and the rank of the conserved density. It increases exponentially with the rank of the conserved density. The running times on the PC Pentium with operating systems Windows 2000 (Xeon, 1.7 GHz) are shown in the table below. Timings are given in milliseconds.

Performance on Windows
Example	Rank
	0	1	2	3	4	5	6	7	8	9
1(i)	15	15	15	31	150	718	5483	28176	127914	493092
1(ii)	15	15	16	63	170	2264	11171	103938	299001	1386468
1(iii)	15	15	15	46	250	5686	29210	203190	924372
1(iv)	15	15	15	31	47	156	1031	8905	40485	194595
2	15	15	45	187	2358	36673	433794
3(i)	15	63	1780	66518	1390030	∗∗
3(ii)	15	47	829	37640	786594	∗∗
The cases ∗∗ were rejected by memory error.

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A general purpose parallel molecular dynamics simulation program

We present a general purpose parallel molecular dynamics simulation code. The code can handle NVE, NVT, and NPT ensemble molecular dynamics, Langevin dynamics, and dissipative particle dynamics. Long-range interactions are handled by using the smooth particle mesh Ewald method. The implicit solvent model using solvent-accessible surface area was also implemented. Benchmark results using molecular dynamics, Langevin dynamics, and dissipative particle dynamics are given.

Program summary

Title of program:MM_PARCatalogue identifier:ADXP_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXP_v1_0Program obtainable from: CPC Program Library, Queen's University of Belfast, N. IrelandComputer for which the program is designed and others on which it has been tested:any UNIX machine. The code has been tested on Linux cluster and IBM p690Operating systems or monitors under which the program has been tested:Linux, AIXProgramming language used:CMemory required to execute with typical data:∼60 MB for a system of atoms Has the code been vectorized or parallelized? parallelized with MPI using atom decomposition and domain decompositionNo. of lines in distributed program, including test data, etc.:171 427No. of bytes in distributed program, including test data, etc.:4 558 773Distribution format:tar.gzExternal routines/libraries used:FFTW free software (http://www.fftw.org)Nature of physical problem:Structural, thermodynamic, and dynamical properties of fluids and solids from microscopic scales to mesoscopic scales.Method of solution:Molecular dynamics simulation in NVE, NVT, and NPT ensemble, Langevin dynamics simulation, dissipative particle dynamics simulation.Typical running time:Table below shows the typical run times for the four test programs.

Benchmark results. The values in the parenthesis are the number of processors used
System	Method	Timing for 100 steps in seconds
256 TIP3P	MD	23.8 (1)
64 DMPC + 1645 TIP3P	MD	890 (1)	528 (2)	326 (4)	209 (8)
8 Aβ16-22	LD	1.02 (1)
23760 Groot-Warren particles	DPD	22.16 (1)

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Multiconfiguration electron density function for the ATSP2K-package

A new atsp2K module is presented for evaluating the electron density function of any multiconfiguration Hartree-Fock or configuration interaction wave function in the non-relativistic or relativistic Breit-Pauli approximation. It is first stressed that the density function is not a priori spherically symmetric in the general open shell case. Ways of building it as a spherical symmetric function are discussed, from which the radial electron density function emerges. This function is written in second quantized coupled tensorial form for exploring the atomic spherical symmetry. The calculation of its expectation value is performed using the angular momentum theory in orbital, spin, and quasispin spaces, adopting a generalized graphical technique. The natural orbitals are evaluated from the diagonalization of the density matrix.

Program summary

Program title: DENSITYCatalogue identifier: AEFR_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFR_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC license, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 6603No. of bytes in distributed program, including test data, etc.: 169 881Distribution format: tar.gzProgramming language: FORTRAN 90Computer: HP XC Cluster Platform 4000Operating system: HP XC System Software 3.2.1, which is a Linux distribution compatible with Red Hat Enterprise Advanced ServerWord size: 32 bitsClassification: 2.1, 2.9, 4.1Subprograms used:

Cat Id	Title	Reference
ADLY_v2_0	ATSP2K	CPC 176 (2007) 559

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Cuba—a library for multidimensional numerical integration

The Cuba library provides new implementations of four general-purpose multidimensional integration algorithms: Vegas, Suave, Divonne, and Cuhre. Suave is a new algorithm, Divonne is a known algorithm to which important details have been added, and Vegas and Cuhre are new implementations of existing algorithms with only few improvements over the original versions. All four algorithms can integrate vector integrands and have very similar Fortran, C/C++, and Mathematica interfaces.

Program summary

Title of program:CubaCatalogue identifier: ADVHProgram summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVHProgram obtainable from: CPC Program Library, Queen's University of Belfast, N. IrelandComputer for which the program is designed and others on which is has been tested:Designed for: all platforms with an ISO C99 C compilerTested on: x86 (Linux/gcc), Alpha (Tru64 Unix/gcc)Operating systems or monitors under which the program has been tested: Linux, Tru64 UnixProgramming language used: CMemory required to execute with typical data: 1M wordsNo. of bits in a word: 8No. of processors used: 1Has the code been vectorized or parallelized?: Not yetNo. of lines in distributed program, including test data, etc.: 9380No. of bytes in distributed program, including test data, etc.: 131 293Distribution format: tar.gzNature of the physical problem: Multidimensional numerical integrations, e.g., of phase spaces.Method of solution: The Cuba library contains the four algorithms Vegas, Suave, Divonne, and Cuhre with the following characteristics:

Routine	Basic integration method	Algorithm type	Variance reduction
Vegas	Sobol quasi-random sample	Monte Carlo	importance sampling
Suave	Sobol quasi-random sample	Monte Carlo	globally adaptive subdivision
Divonne	Korobov quasi-random sample	Monte Carlo	stratified sampling,
	or Sobol quasi-random sample	Monte Carlo	aided by methods from
	or cubature rules	deterministic	numerical optimization
Cuhre	cubature rules	deterministic	globally adaptive subdivision

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HiggsBounds: Confronting arbitrary Higgs sectors with exclusion bounds from LEP and the Tevatron

HiggsBounds is a computer code that tests theoretical predictions of models with arbitrary Higgs sectors against the exclusion bounds obtained from the Higgs searches at LEP and the Tevatron. The included experimental information comprises exclusion bounds at 95% C.L. on topological cross sections. In order to determine which search topology has the highest exclusion power, the program also includes, for each topology, information from the experiments on the expected exclusion bound, which would have been observed in case of a pure background distribution. Using the predictions of the desired model provided by the user as input, HiggsBounds determines the most sensitive channel and tests whether the considered parameter point is excluded at the 95% C.L. HiggsBounds is available as a Fortran 77 and Fortran 90 code. The code can be invoked as a command line version, a subroutine version and an online version. Examples of exclusion bounds obtained with HiggsBounds are discussed for the Standard Model, for a model with a fourth generation of quarks and leptons and for the Minimal Supersymmetric Standard Model with and without CP-violation. The experimental information on the exclusion bounds currently implemented in HiggsBounds will be updated as new results from the Higgs searches become available.

Program summary

Program title: HiggsBoundsCatalogue identifier: AEFF_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFF_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.: 55 733No. of bytes in distributed program, including test data, etc.: 1 986 213Distribution format: tar.gzProgramming language: Fortran 77, Fortran 90 (two code versions are offered).Computer: HiggsBounds can be built with any compatible Fortran 77 or Fortran 90 compiler. The program has been tested on x86 CPUs running under Linux (Ubuntu 8.04) and with the following compilers: The Portland Group Inc. Fortran compilers (pgf77, pgf90), the GNU project Fortran compilers (g77, gfortran).Operating system: LinuxRAM: minimum of about 6000 kbytes (dependent on the code version)Classification: 11.1External routines: HiggsBounds requires no external routines/libraries. Some sample programs in the distribution require the programs FeynHiggs 2.6.x or CPsuperH2 to be installed (see “Subprograms used”).Subprograms used:

Cat Id	Title	Reference
ADKT_v2_0	FeynHiggsv2.6.5	CPC 180(2009)1426
ADSR_v2_0	CPsuperH2.0	CPC 180(2009)312

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Near-global validation of the SRTM DEM using satellite radar altimetry

This paper reports the results of a near-global validation of the SRTM DEM dataset, using a unique database of completely independent height measurements derived from satellite altimeter echoes, primarily gathered by ERS-1. These heights are obtained using a rule-based expert system which identifies each echo as 1 of 11 different characteristic shapes, and selects the optimal retracking algorithm to obtain best range to surface. The results of this comparison, which includes over 54 million altimeter derived heights, show generally very good agreement with the SRTM data, with global statistics for mean difference of 3 m and a standard deviation of 16 m. Quantitative validation results are given for each continent and are summarised here.

	Mean difference (m)	Standard deviation of differences (m)
Africa	1.86	15.62
Australia	1.09	11.49
Eurasia	2.54	16.09
North America	3.15	15.18
South America	12.22	18.51
Global	3.60	16.16

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Model-Driven Development for scientific computing. Computations of RHEED intensities for a disordered surface. Part II

Modelling, simulation, and visualisation together create the third branch of human knowledge on equal footing with theory and experiment. Model-Driven Development (MDD) has been proposed as a means to support the software development process through the use of a model-centric approach. The objective of this paper is to address the design of an architecture for scientific application that may execute as multithreaded computations, as well as implementations of the related shared data structures.

New version program summary

Program title: Growth09Catalogue identifier: ADVL_v3_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVL_v3_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 940No. of bytes in distributed program, including test data, etc.: 3 119 488Distribution format: tar.gzProgramming language: Embarcadero DelphiComputer: Intel Core Duo-based PCOperating system: Windows XP, Vista, 7RAM: more than 1 GBClassification: 4.3, 7.2, 6.2, 8, 14Catalogue identifier of previous version: ADVL_v2_1Journal reference of previous version: Comput. Phys. Comm. 180 (2009) 1219Subprograms used:

Cat Id	Title	Reference
ADUY_v4_0	RHEED1DProcess	CPC 999 (9999) 9999

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Oscillator strengths from numerical MCHF radial functions

Title of program: GF VALUES Catalogue number: ACRZ Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: IBM S360/75; Installation: University of Waterloo, Waterloo, Ontario, Canada Operating system: Hasp II Programming language used: FORTRAN IV High speed core required: 134 K bytes Number of bits in a byte: 8 Overlay structure: None Number of magnetic tapes required: None Other peripherals required: Card reader, printer; disk (optional) Number of cards in the combined program and test deck: 903 Card punching code: EBCDIC 029CPC Library subprograms used (to supply data)

     

10.

A new version of AAKF (Reduced Tensor Matrix Elements) adapted to spectroscopic notation     

C. Froese Fischer  K.M.S. Saxena 《Computer Physics Communications》1975,9(6):370-380

Title of program: REDUCED TENSOR MATRIX ELEMENTS 2 Catalogue number: AAKP Program obtainable from: CPC Program Library, Queen's University of Belfast N. Ireland (see application form in this issue) Computer: Installation: IBM 360/75 University of Waterloo, Waterloo, Ont. Canada Operating system: OS/360 HASP II Programming languages used: FORTRAN IV High speed store required: 102 K bytes No. of bits per byte: 8 Overlay structure: None Other peripherals used: Card reader, line printer No. of cards in combined program and test deck: 1524 Card punching code: EBCDIC 029CPC Library subprograms used:

Cat. numbers	Titles	Refs. in C.P.C.
ACRF	MCHF 72	4 (1972) 107, 7 (1974) 236
AAKP	REDUCED TENSOR MATRIX ELEMENTS 2		9 (1975) 370

     

11.

TERS v2.0: An improved version of TERS     

S. Nath 《Computer Physics Communications》2009,180(11):2392-2393

     

12.

Revision of wFMM – A Wideband Fast Multipole Method for the two-dimensional complex Helmholtz equation     

Min Hyung Cho  Wei Cai 《Computer Physics Communications》2012,183(2):446-447

     

13.

A new version of AAKL (the matrix elements of spin-orbit interaction) adapted to spectroscopic notation     

K.M.S. Saxena 《Computer Physics Communications》1977,13(3):193-202

Title of the program: SPINORBIT WEIGHTS 2 Catalogue number: ACXL Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: Amdahl 470 V/6; Installation: University of Alberta, Edmonton, Alberta, Canada Operating system: MTS Programming language used: FORTRAN IV High speed core required: 25590 bytes No. of bits per byte: 8 Overlay structure: none Other peripherals used: card reader, line printer, card punch No. of magnetic tapes required: none No. of cards in combined program and test deck: 1952 Card punching code: EBCDIC 029 CPC library subprograms used

Cat. numbers	Titles	Refs. in C.P.C.
ACQB	P SHELL CFP	1 (1969) 15
ACRN	A NEW D SHELL CFP	6 (1973) 88
AAGD	NJSYM	1 (1970) 241, 2 (1971) 173
AAGD0001	ADAPT NJSYM FOR WEIGHTS		2 (1971) 180
AAGD0002		ADAPT TO INTEGER ARITHMETIC	5 (1973) 161

     

14.

FeynRules - Feynman rules made easy     

Neil D. Christensen 《Computer Physics Communications》2009,180(9):1614-1641

In this paper we present FeynRules, a new Mathematica package that facilitates the implementation of new particle physics models. After the user implements the basic model information (e.g., particle content, parameters and Lagrangian), FeynRules derives the Feynman rules and stores them in a generic form suitable for translation to any Feynman diagram calculation program. The model can then be translated to the format specific to a particular Feynman diagram calculator via FeynRules translation interfaces. Such interfaces have been written for CalcHEP/CompHEP, FeynArts/FormCalc, MadGraph/MadEvent and Sherpa, making it possible to write a new model once and have it work in all of these programs. In this paper, we describe how to implement a new model, generate the Feynman rules, use a generic translation interface, and write a new translation interface. We also discuss the details of the FeynRules code.

Program summary

Program title: FeynRulesCatalogue identifier: AEDI_v1_0Program summary URL::http://cpc.cs.qub.ac.uk/summaries/AEDI_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.: 15 980No. of bytes in distributed program, including test data, etc.: 137 383Distribution format: tar.gzProgramming language: MathematicaComputer: Platforms on which Mathematica is availableOperating system: Operating systems on which Mathematica is availableClassification: 11.1, 11.2, 11.6Nature of problem: Automatic derivation of Feynman rules from a Lagrangian. Implementation of new models into Monte Carlo event generators and FeynArts.Solution method: FeynRules works in two steps:

Catalogue	Title	Ref. in CPC
numbers
ACQB	P SHELL C.F.P.	1 (1969) 15
ACRN	A NEW D SHELL CFP	6 (1973) 88
AAGD 1	NJSYM	1 (1970) 241
		2 (1971) 173
AAGD0001 1	ADAPT NJSYM FOR	2 (1971) 180
	WEIGHTS
AAGD0002 1	ADAPT TO	5 (1973) 161
	INTEGER ARITHMETIC

1. derivation of the Feynman rules directly form the Lagrangian using canonical commutation relations among fields and creation operators.

2. implementation of the new physics model into FeynArts as well as various Monte Carlo programs via interfaces.

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A new version of AAKF (Reduced Tensor Matrix Elements) adapted to spectroscopic notation

Title of program: REDUCED TENSOR MATRIX ELEMENTS 2 Catalogue number: AAKP Program obtainable from: CPC Program Library, Queen's University of Belfast N. Ireland (see application form in this issue) Computer: Installation: IBM 360/75 University of Waterloo, Waterloo, Ont. Canada Operating system: OS/360 HASP II Programming languages used: FORTRAN IV High speed store required: 102 K bytes No. of bits per byte: 8 Overlay structure: None Other peripherals used: Card reader, line printer No. of cards in combined program and test deck: 1524 Card punching code: EBCDIC 029CPC Library subprograms used:

A new version of AAKL (the matrix elements of spin-orbit interaction) adapted to spectroscopic notation

Title of the program: SPINORBIT WEIGHTS 2 Catalogue number: ACXL Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: Amdahl 470 V/6; Installation: University of Alberta, Edmonton, Alberta, Canada Operating system: MTS Programming language used: FORTRAN IV High speed core required: 25590 bytes No. of bits per byte: 8 Overlay structure: none Other peripherals used: card reader, line printer, card punch No. of magnetic tapes required: none No. of cards in combined program and test deck: 1952 Card punching code: EBCDIC 029 CPC library subprograms used

FeynRules - Feynman rules made easy

In this paper we present FeynRules, a new Mathematica package that facilitates the implementation of new particle physics models. After the user implements the basic model information (e.g., particle content, parameters and Lagrangian), FeynRules derives the Feynman rules and stores them in a generic form suitable for translation to any Feynman diagram calculation program. The model can then be translated to the format specific to a particular Feynman diagram calculator via FeynRules translation interfaces. Such interfaces have been written for CalcHEP/CompHEP, FeynArts/FormCalc, MadGraph/MadEvent and Sherpa, making it possible to write a new model once and have it work in all of these programs. In this paper, we describe how to implement a new model, generate the Feynman rules, use a generic translation interface, and write a new translation interface. We also discuss the details of the FeynRules code.

Program summary

Program title: FeynRulesCatalogue identifier: AEDI_v1_0Program summary URL::http://cpc.cs.qub.ac.uk/summaries/AEDI_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.: 15 980No. of bytes in distributed program, including test data, etc.: 137 383Distribution format: tar.gzProgramming language: MathematicaComputer: Platforms on which Mathematica is availableOperating system: Operating systems on which Mathematica is availableClassification: 11.1, 11.2, 11.6Nature of problem: Automatic derivation of Feynman rules from a Lagrangian. Implementation of new models into Monte Carlo event generators and FeynArts.Solution method: FeynRules works in two steps:

A version of a nuclear optical model code for small computers designed to run on a PDP-15

Title of program: OPTIX KSU 1 Catalogue number: ACRR Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue). Computer: PDP-15; Installation: Department of Physics, Kansas State University, Manhattan, Kansas, USA. Operating system: BF Programming language used: Fortran IV High speed storage required: 14K words No. of bits in a word: 18 for integer variable. 2 words per floating-point variable. Overlay structure: Overlaid No. of magnetic tapes required: 2 PDP DEC tapes Other peripherals used: Lineprinter, typewriter, storage oscilloscope images No. of card images in combined program and test deck: 3660 Card punching code: ASCII Reference to other published version of this program:

     

16.

QCDMAPT_F: Fortran version of QCDMAPT package     

A.V. Nesterenko  C. Simolo 《Computer Physics Communications》2011,(10):2303-2304

The QCDMAPT program package facilitates computations in the framework of dispersive approach to Quantum Chromodynamics. The QCDMAPT_F version of this package enables one to perform such computations with Fortran, whereas the previous version was developed for use with Maple system. The QCDMAPT_F package possesses the same basic features as its previous version. Namely, it embodies the calculated explicit expressions for relevant spectral functions up to the four–loop level and the subroutines for necessary integrals.

New version program summary

Program title: QCDMAPT_FCatalogue identifier: AEGP_v2_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGP_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.: 10 786No. of bytes in distributed program, including test data, etc.: 332 329Distribution format: tar.gzProgramming language: Fortran 77 and higherComputer: Any which supports Fortran 77Operating system: Any which supports Fortran 77Classification: 11.1, 11.5, 11.6External routines: MATHLIB routine RADAPT (D102) from CERNLIB Program Library [1]Catalogue identifier of previous version: AEGP_v1_0Journal reference of previous version: Comput. Phys. Comm. 181 (2010) 1769Does the new version supersede the previous version?: No. This version provides an alternative to the previous, Maple, version.Nature of problem: A central object of the dispersive (or “analytic”) approach to Quantum Chromodynamics [2,3] is the so-called spectral function, which can be calculated by making use of the strong running coupling. At the one-loop level the latter has a quite simple form and the relevant spectral function can easily be calculated. However, at the higher loop levels the strong running coupling has a rather cumbersome structure. Here, the explicit calculation of corresponding spectral functions represents a somewhat complicated task (see Section 3 and Appendix B of Ref. [4]), whereas their numerical evaluation requires a lot of computational resources and essentially slows down the overall computation process.Solution method: The developed package includes the calculated explicit expressions for relevant spectral functions up to the four-loop level and the subroutines for necessary integrals.Reasons for new version: The previous version of the package (Ref. [4]) was developed for use with Maple system. The new version is developed for Fortran programming language.Summary of revisions: The QCDMAPT_F package consists of the main program (QCDMAPT_F.f) and two samples of the file containing the values of input parameters (QCDMAPT_F.i1 and QCDMAPT_F.i2). The main program includes the definitions of relevant spectral functions and subroutines for necessary integrals. The main program also provides an example of computation of the values of (M)APT spacelike/timelike expansion functions for the specified set of input parameters and (as an option) generates the output data files with values of these functions over the given kinematic intervals.Additional comments: For the proper functioning of QCDMAPT_F package, the “MATHLIB” CERNLIB library [1] has to be installed.Running time: The running time of the main program with sample set of input parameters specified in the file QCDMAPT_F.i2 is about a minute (depends on CPU).References:

Catalogue no.:	Title:	Ref. in CPC:
ABOU	OPTICS	5 (1973) 69

[1] 

Subroutine D102 of the “MATHLIB” CERNLIB library, URL addresses: http://cernlib.web.cern.ch/cernlib/mathlib.html, http://wwwasdoc.web.cern.ch/wwwasdoc/shortwrupsdir/d102/top.html.

[2] 

D.V. Shirkov, I.L. Solovtsov, Phys. Rev. Lett. 79 (1997) 1209;   K.A. Milton, I.L. Solovtsov, Phys. Rev. D 55 (1997) 5295;   K.A. Milton, I.L. Solovtsov, Phys. Rev. D 59 (1999) 107701;   I.L. Solovtsov, D.V. Shirkov, Theor. Math. Phys. 120 (1999) 1220;   D.V. Shirkov, I.L. Solovtsov, Theor. Math. Phys. 150 (2007) 132.

[3] 

A.V. Nesterenko, Phys. Rev. D 62 (2000) 094028;   A.V. Nesterenko, Phys. Rev. D 64 (2001) 116009;   A.V. Nesterenko, Int. J. Mod. Phys. A 18 (2003) 5475;   A.V. Nesterenko, J. Papavassiliou, J. Phys. G 32 (2006) 1025;   A.V. Nesterenko, Nucl. Phys. B (Proc. Suppl.) 186 (2009) 207.

[4] 

A.V. Nesterenko, C. Simolo, Comput. Phys. Comm. 181 (2010) 1769.

     

QCDMAPT_F: Fortran version of QCDMAPT package

The QCDMAPT program package facilitates computations in the framework of dispersive approach to Quantum Chromodynamics. The QCDMAPT_F version of this package enables one to perform such computations with Fortran, whereas the previous version was developed for use with Maple system. The QCDMAPT_F package possesses the same basic features as its previous version. Namely, it embodies the calculated explicit expressions for relevant spectral functions up to the four–loop level and the subroutines for necessary integrals.

New version program summary

Program title: QCDMAPT_FCatalogue identifier: AEGP_v2_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGP_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.: 10 786No. of bytes in distributed program, including test data, etc.: 332 329Distribution format: tar.gzProgramming language: Fortran 77 and higherComputer: Any which supports Fortran 77Operating system: Any which supports Fortran 77Classification: 11.1, 11.5, 11.6External routines: MATHLIB routine RADAPT (D102) from CERNLIB Program Library [1]Catalogue identifier of previous version: AEGP_v1_0Journal reference of previous version: Comput. Phys. Comm. 181 (2010) 1769Does the new version supersede the previous version?: No. This version provides an alternative to the previous, Maple, version.Nature of problem: A central object of the dispersive (or “analytic”) approach to Quantum Chromodynamics [2,3] is the so-called spectral function, which can be calculated by making use of the strong running coupling. At the one-loop level the latter has a quite simple form and the relevant spectral function can easily be calculated. However, at the higher loop levels the strong running coupling has a rather cumbersome structure. Here, the explicit calculation of corresponding spectral functions represents a somewhat complicated task (see Section 3 and Appendix B of Ref. [4]), whereas their numerical evaluation requires a lot of computational resources and essentially slows down the overall computation process.Solution method: The developed package includes the calculated explicit expressions for relevant spectral functions up to the four-loop level and the subroutines for necessary integrals.Reasons for new version: The previous version of the package (Ref. [4]) was developed for use with Maple system. The new version is developed for Fortran programming language.Summary of revisions: The QCDMAPT_F package consists of the main program (QCDMAPT_F.f) and two samples of the file containing the values of input parameters (QCDMAPT_F.i1 and QCDMAPT_F.i2). The main program includes the definitions of relevant spectral functions and subroutines for necessary integrals. The main program also provides an example of computation of the values of (M)APT spacelike/timelike expansion functions for the specified set of input parameters and (as an option) generates the output data files with values of these functions over the given kinematic intervals.Additional comments: For the proper functioning of QCDMAPT_F package, the “MATHLIB” CERNLIB library [1] has to be installed.Running time: The running time of the main program with sample set of input parameters specified in the file QCDMAPT_F.i2 is about a minute (depends on CPU).References:

MEDUSA a one-dimensional laser fusion code

Title of program: MEDUSA 1 Catalogue number: ABUG Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: ICL 4–70; Installation: UKAEA Culham Laboratory Operating system: ICL Multijob Programming languages used: STANDARD FORTRAN High speed store required: 45000 words. No. of bits in a word: 32 Overlay structure: None No. of magnetic tapes required: None Other peripherals used: Line printer No. of cards in combined program and test deck: 6316 Card punching code: EBCDIC

     

18.

Electron impact excitation cross sections     

M.R.C. McDowell  L. Morgan  V.P. Myerscough 《Computer Physics Communications》1974,7(1):38-49

Title of program: POLORB Catalogue number: AAGW Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue)

CPC Library subprograms used:
Catalogue number:	Title:	Ref. in CPC:
ABUF	OLYMPUS	7 (1974) 245

     

19.

FIESTA 2: Parallelizeable multiloop numerical calculations     

A.V. Smirnov  V.A. Smirnov  M. Tentyukov 《Computer Physics Communications》2011,(3):790-803

The program FIESTA has been completely rewritten. Now it can be used not only as a tool to evaluate Feynman integrals numerically, but also to expand Feynman integrals automatically in limits of momenta and masses with the use of sector decompositions and Mellin–Barnes representations. Other important improvements to the code are complete parallelization (even to multiple computers), high-precision arithmetics (allowing to calculate integrals which were undoable before), new integrators, Speer sectors as a strategy, the possibility to evaluate more general parametric integrals.

Program summary

Program title:FIESTA 2Catalogue identifier: AECP_v2_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECP_v2_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: GNU GPL version 2No. of lines in distributed program, including test data, etc.: 39 783No. of bytes in distributed program, including test data, etc.: 6 154 515Distribution format: tar.gzProgramming language: Wolfram Mathematica 6.0 (or higher) and CComputer: From a desktop PC to a supercomputerOperating system: Unix, Linux, Windows, Mac OS XHas the code been vectorised or parallelized?: Yes, the code has been parallelized for use on multi-kernel computers as well as clusters via Mathlink over the TCP/IP protocol. The program can work successfully with a single processor, however, it is ready to work in a parallel environment and the use of multi-kernel processor and multi-processor computers significantly speeds up the calculation; on clusters the calculation speed can be improved even further.RAM: Depends on the complexity of the problemClassification: 4.4, 4.12, 5, 6.5Catalogue identifier of previous version: AECP_v1_0Journal reference of previous version: Comput. Phys. Comm. 180 (2009) 735External routines: QLink [1], Cuba library [2], MPFR [3]Does the new version supersede the previous version?: YesNature of problem: The sector decomposition approach to evaluating Feynman integrals falls apart into the sector decomposition itself, where one has to minimize the number of sectors; the pole resolution and epsilon expansion; and the numerical integration of the resulting expression.Solution method: The sector decomposition is based on a new strategy as well as on classical strategies such as Speer sectors. The sector decomposition, pole resolution and epsilon-expansion are performed in Wolfram Mathematica 6.0 or, preferably, 7.0 (enabling parallelization) [4]. The data is stored on hard disk via a special program, QLink [1]. The expression for integration is passed to the C-part of the code, that parses the string and performs the integration by one of the algorithms in the Cuba library package [2]. This part of the evaluation is perfectly parallelized on multi-kernel computers.Reasons for new version:

Computer:	Installation:
CDC 7600	NCAR, Boulder, Colorado
CDC 6600	ULCC, University of London
ICL 1904S	Queen Mary College, London Operating system: SCOPE, MAXIMOP Programming language used: FORTRAN IV High speed storage required: 31 kwords No. of bits in a word: 60 Overlay structure: None No. of magnetic tapes required: None Other peripherals used: Card reader, line printer No. of cards in combined program and test deck: 1722 Card punching code: CDC

1. 

The first version of FIESTA had problems related to numerical instability, so for some classes of integrals it could not produce a result.

2. 

The sector decomposition method can be applied not only for integral calculation.

Summary of revisions:

• 1. 

  New integrator library is used.

• 2. 

  New methods to deal with numerical instability (MPFR library).

• 3. 

  Parallelization in Mathematica.

• 4. 

  Parallelization on multiple computers via TCP-IP.

• 5. 

  New sector decomposition strategy (Speer sectors).

• 6. 

  Possibility of using FIESTA to for integral expansion.

• 7. 

  Possibility of using FIESTA to discover poles in d.

• 8. 

  New negative terms resolution strategies.

Restrictions: The complexity of the problem is mostly restricted by CPU time required to perform the evaluation of the integralRunning time: Depends on the complexity of the problemReferences:

• [1] 

  http://qlink08.sourceforge.net, open source.

• [2] 

  http://www.feynarts.de/cuba/, open source.

• [3] 

  http://www.mpfr.org/, open source.

• [4] 

  http://www.wolfram.com/products/mathematica/index.html.

     

Electron impact excitation cross sections

Title of program: POLORB Catalogue number: AAGW Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue)

FIESTA 2: Parallelizeable multiloop numerical calculations

The program FIESTA has been completely rewritten. Now it can be used not only as a tool to evaluate Feynman integrals numerically, but also to expand Feynman integrals automatically in limits of momenta and masses with the use of sector decompositions and Mellin–Barnes representations. Other important improvements to the code are complete parallelization (even to multiple computers), high-precision arithmetics (allowing to calculate integrals which were undoable before), new integrators, Speer sectors as a strategy, the possibility to evaluate more general parametric integrals.

Program summary

Program title:FIESTA 2Catalogue identifier: AECP_v2_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECP_v2_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: GNU GPL version 2No. of lines in distributed program, including test data, etc.: 39 783No. of bytes in distributed program, including test data, etc.: 6 154 515Distribution format: tar.gzProgramming language: Wolfram Mathematica 6.0 (or higher) and CComputer: From a desktop PC to a supercomputerOperating system: Unix, Linux, Windows, Mac OS XHas the code been vectorised or parallelized?: Yes, the code has been parallelized for use on multi-kernel computers as well as clusters via Mathlink over the TCP/IP protocol. The program can work successfully with a single processor, however, it is ready to work in a parallel environment and the use of multi-kernel processor and multi-processor computers significantly speeds up the calculation; on clusters the calculation speed can be improved even further.RAM: Depends on the complexity of the problemClassification: 4.4, 4.12, 5, 6.5Catalogue identifier of previous version: AECP_v1_0Journal reference of previous version: Comput. Phys. Comm. 180 (2009) 735External routines: QLink [1], Cuba library [2], MPFR [3]Does the new version supersede the previous version?: YesNature of problem: The sector decomposition approach to evaluating Feynman integrals falls apart into the sector decomposition itself, where one has to minimize the number of sectors; the pole resolution and epsilon expansion; and the numerical integration of the resulting expression.Solution method: The sector decomposition is based on a new strategy as well as on classical strategies such as Speer sectors. The sector decomposition, pole resolution and epsilon-expansion are performed in Wolfram Mathematica 6.0 or, preferably, 7.0 (enabling parallelization) [4]. The data is stored on hard disk via a special program, QLink [1]. The expression for integration is passed to the C-part of the code, that parses the string and performs the integration by one of the algorithms in the Cuba library package [2]. This part of the evaluation is perfectly parallelized on multi-kernel computers.Reasons for new version:

GeodesicViewer – A tool for exploring geodesics in the theory of relativity

The GeodesicViewer realizes exocentric two- and three-dimensional illustrations of lightlike and timelike geodesics in the general theory of relativity. By means of an intuitive graphical user interface, all parameters of a spacetime as well as the initial conditions of the geodesics can be modified interactively.

New version program summary

Program title: GeodesicViewerCatalogue identifier: AEFP_v2_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFP_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.: 76 202No. of bytes in distributed program, including test data, etc.: 1 722 290Distribution format: tar.gzProgramming language: C++, OpenGLComputer: All platforms with a C++ compiler, Qt, OpenGLOperating system: Linux, Mac OS X, WindowsRAM: 24 MBytesClassification: 1.5External routines:

• • 

  Motion4D (included in the package)

• • 

  Gnu Scientific Library (GSL) (http://www.gnu.org/software/gsl/)

• • 

  Qt (http://qt.nokia.com/downloads)

• • 

  OpenGL (http://www.opengl.org/)

Catalogue identifier of previous version: AEFP_v1_0Journal reference of previous version: Comput. Phys. Comm. 181 (2010) 413Does the new version supersede the previous version?: YesNature of problem: Illustrate geodesics in four-dimensional Lorentzian spacetimes.Solution method: Integration of ordinary differential equations. 3D-Rendering via OpenGL.Reasons for new version: The main reason for the new version was to visualize the parallel transport of the Sachs legs and to show the influence of curved spacetime on a bundle of light rays as is realized in the new version of the Motion4D library (http://cpc.cs.qub.ac.uk/summaries/AEEX_v3_0.html).Summary of revisions:

• • 

  By choosing the new geodesic type “lightlike_sachs”, the parallel transport of the Sachs basis and the integration of the Jacobi equation can be visualized.

• • 

  The 2D representation via Qwt was replaced by an OpenGL 2D implementation to speed up the visualization.

• • 

  Viewing parameters can now be stored in a configuration file (.cfg).

• • 

  Several new objects can be used in 3D and 2D representation.

• • 

  Several predefined local tetrads can be choosen.

• • 

  There are some minor modifications: new mouse control (rotate on sphere); line smoothing; current last point in coordinates is shown; mutual-coordinate representation extended; current cursor position in 2D; colors for 2D view.

Running time: Interactive. The examples given take milliseconds.