cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/d6h9gt2z77.1
title: Generation of Clebsch–Gordan coefficients for the point and double groups

description: Abstract The theory of the point and double groups has been widely used in quantum physics to understand the structure and dynamical properties of molecules and solids. In order to construct wave functions for such systems, one often needs the Clebsch-Gordan coefficients for the symmetry groups. Here, we present an extension of the Bethe program to support the calculation of the Clebsch-Gordan coefficients as applied, for instance, in crystal field theory. Apart from the generation of the Clebsch-Gord... Title of program: BETHE Catalogue Id: ADUH_v3_0 Nature of problem The energy levels of atoms, placed into a crystal environment, can be classified by using group theory. In order to represent, for instance, the wave functions, which are associated with these atomic levels, one often requires the Clebsch-Gordan coefficients of the underlying symmetry group of the overall system. These coefficients arise in the coupling of the electronic wave functions (subsystems) and therefore help investigate the interaction between the many-electron atom and the external fie ... Versions of this program held in the CPC repository in Mendeley Data ADUH_v1_0; BETHE.; 10.1016/j.cpc.2004.06.088 ADUH_v2_0; BETHE; 10.1016/j.cpc.2005.03.112 ADUH_v3_0; BETHE; 10.1016/j.cpc.2006.01.001 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/dfxb2yth7c.1
title: Data for: A New Model for the Asymmetric Vehicle Routing Problem with Simultaneous Pickup and Deliveries

description: File contains problem instances reported in our work.
DOI: 10.17632/f6x3tyx3p9.1
title: The two-electron atomic systems. S-states

description: Abstract A simple Mathematica program for computing the S-state energies and wave functions of two-electron (helium-like) atoms (ions) is presented. The well-known method of projecting the Schrödinger equation onto the finite subspace of basis functions was applied. The basis functions are composed of the exponentials combined with integer powers of the simplest perimetric coordinates. No special subroutines were used, only built-in objects supported by Mathematica. The accuracy of results and computa... Title of program: TwoElAtom-S Catalogue Id: AEFK_v1_0 Nature of problem The Schrödinger equation for atoms (ions) with more than one electron has not been solved analytically. Approximate methods must be applied in order to obtain the wave functions or other physical attributes from quantum mechanical calculations. Versions of this program held in the CPC repository in Mendeley Data AEFK_v1_0; TwoElAtom-S; 10.1016/j.cpc.2009.09.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/3mvtn2bzy6.1
title: A program to compute exact hydrogenic radial integrals and Einstein coefficients

description: Abstract An exact expression for the dipole radial integral of hydrogen has been given by Gordon [Ann. Phys. 2 (1929) 1031]. It contains two hypergeometric functions F (a, b ; c ; x), which are difficult to calculate directly, when the (negative) integers a, b are large, as in the case of high Rydberg states of hydrogenic ions. We have derived a simple method [D. Hoang-Binh, Astron. Astrophys. 238 (1990) 449], using a recurrence relation to calculate exactly F, starting from two initial values, which ... Title of program: ba5.2 Catalogue Id: ADUU_v2_0 Nature of problem Exact calculation of atomic data. Versions of this program held in the CPC repository in Mendeley Data ADUU_v1_0; ba5; 10.1016/j.cpc.2004.11.005 ADUU_v2_0; ba5.2; 10.1016/j.cpc.2009.06.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/3xrf5rctnk.1
title: Debris disk radiative transfer simulation tool (DDS)

description: Abstract A WWW interface for the simulation of spectral energy distributions of optically thin dust configurations with an embedded radiative source is presented. The density distribution, radiative source, and dust parameters can be selected either from an internal database or defined by the user. This tool is optimized for studying circumstellar debris disks where large grains ( a grain ≫ 1 μ m ) are expected to determine the far-infrared through millimeter dust reemission spectral energy distributi... Title of program: Debris Disk Radiative Transfer Simulator (DDS) Catalogue Id: ADVV_v1_0 Nature of problem Simulation of scattered light and thermal reemission in arbitrary optically dust distributions with spherical, homogeneous grains where the dust parameters (optical properties, sublimation temperature, grain size) and SED of the illuminating/ heating radiative source can be arbitrarily defined (example application: Wolf and Hillenbrand 2003). The program is optimized for studying circumstellar debris disks where large grains (i.e., with large size parameters) are expected to determine the far-in ... Versions of this program held in the CPC repository in Mendeley Data ADVV_v1_0; Debris Disk Radiative Transfer Simulator (DDS); 10.1016/j.cpc.2005.04.014 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/964t3zxnkv.1
title: FILMPAR: A parallel algorithm designed for the efficient and accurate computation of thin film flow on functional surfaces containing micro-structure

description: Abstract FILMPAR is a highly efficient and portable parallel multigrid algorithm for solving a discretised form of the lubrication approximation to three-dimensional, gravity-driven, continuous thin film free-surface flow over substrates containing micro-scale topography. While generally applicable to problems involving heterogeneous and distributed features, for illustrative purposes the algorithm is benchmarked on a distributed memory IBM BlueGene/P computing platform for the case of flow over a sin... Title of program: FILMPAR Catalogue Id: AEEL_v1_0 Nature of problem Thin film flows over functional substrates containing well-defined single and complex topographical features are of enormous significance, having a wide variety of engineering, industrial and physical applications. However, despite recent modelling advances, the accurate numerical solution of the equations governing such problems is still at a relatively early stage. Indeed, recent studies employing a simplifying long-wave approximation have shown that highly efficient numerical methods are nece ... Versions of this program held in the CPC repository in Mendeley Data AEEL_v1_0; FILMPAR; 10.1016/j.cpc.2009.06.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/9zpdjgc2hm.1
title: LILIX—A package for the solution of the coupled channel Schrödinger equation ☆

description: Abstract The code LILIX is based on a CP method for solving systems of coupled Schrödinger equations. The method is of the sixth order, highly stable and with uniform accuracy with respect to the energy. The package contains three main subroutines to be accessed directly by the user. Subroutine LI generates the partition consistent with the desired accuracy while subroutine LIX helps propagating the solution and its derivative with respect to the momentum k in both directions (forwards and backwards) ... Title of program: LILIX Catalogue Id: ADQF_v1_0 Nature of problem Quantum mechanics problems which involve the solution of the coupled channel Schrodinger equation. Versions of this program held in the CPC repository in Mendeley Data ADQF_v1_0; LILIX; 10.1016/S0010-4655(02)00459-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/bxw6rwtg28.1
title: A superspace module for the FeynRules package

description: Abstract We describe an additional module for the Mathematica package FeynRules that allows for an easy building of any N = 1 supersymmetric quantum field theory, directly in superspace. After the superfield content of a specific model has been implemented, the user can study the properties of the model, such as the supersymmetric transformation laws of the associated Lagrangian, directly in Mathematica. While the model dependent parts of the latter, i.e., the soft supersymmetry-breaking Lagrangia... Title of program: "FeynRules" Catalogue Id: AEDI_v1_1 Nature of problem Study of the properties of N = 1 supersymmetric field theories using the superfield formalism, derivation of the associated Lagrangians. Versions of this program held in the CPC repository in Mendeley Data AEDI_v1_0; FeynRules; 10.1016/j.cpc.2009.02.018 AEDI_v1_1; "FeynRules"; 10.1016/j.cpc.2011.06.009 AEDI_v2_0; FeynRules 2.0; 10.1016/j.cpc.2014.04.012 AEDI_v2_1; FeynRules-2.1 with NLOCT; 10.1016/j.cpc.2015.08.015 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/c3vrpwdpd8.1
title: Numerical solution of the Fokker-Planck equation with a dc electric field

description: Abstract Using the IMSL package TWODEPEP, the full non-relativistic Fokker-Planck equation is solved numerically for the runaway electron distribution function in the presence of a dc electric field. A set of partial integro-differential equations derived from a Legendre expansion of the Fokker-Planck equation is solved simultaneously for the electron distribution parts up to f_3with f_0non-Maxwellian and including the full electron-electron collision operator. The runaway distribution function an... Title of program: FPLEGEND Catalogue Id: ACJA_v1_0 Nature of problem A code is presented that solves numerically the full non-relativistic Fokker-Planck equation using the IMSL package TWODEPEP, for the runaway electron distribution function in the presence of a dc electric field. Most other Fokker-Planck codes use a partially linearized form of this equation, which results in the wrong Spitzer conductivity. Here we aim to apply the full, rather than partially linearized, Fokker-Planck equation, which includes not only electron-electron collisions between the per ... Versions of this program held in the CPC repository in Mendeley Data ACJA_v1_0; FPLEGEND; 10.1016/0010-4655(92)90014-P This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/hwvsd7mvzx.1
title: A program for perspective views of open surfaces

description: Title of program: TDPLOT3 Catalogue Id: ACFB_v1_0 Nature of problem TDPLOT3 constructs either monoptic or stereoptic perspective projections of open surfaces described in spherical polar or cylindrical coordinates and, optionally, displays the top side of the surface in one colour and the underside in another colour. Versions of this program held in the CPC repository in Mendeley Data ACFB_v1_0; TDPLOT3; 10.1016/0010-4655(83)90094-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/srn8f3g3gb.1
title: A program for calculating the structure factors of liquid metals and binary liquid alloys

description: Title of program: AVA Catalogue Id: ACKT_v1_0 Nature of problem This program computes the structure factor of liquid metals and binary liquid alloys. Versions of this program held in the CPC repository in Mendeley Data ACKT_v1_0; AVA; 10.1016/0010-4655(81)90128-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/vdm6535cmg.1
title: carlomat_3.0, an automatic tool for the electron–positron annihilation into hadrons at low energies

description: Abstract A new version of carlomat that allows to generate automatically the Monte Carlo programs dedicated to the description of the processes <sup>e+</sup><sup>e-</sup>→hadrons at low center-of-mass energies is presented. The program has been substantially modified in order to incorporate the photon-vector meson mixing terms and to make possible computation of the helicity amplitudes involving the Feynman interaction vertices of new tensor structures, like those predicted by the Resonance Chiral The... Title of program: carlomat, version 3.0 Catalogue Id: AEDQ_v3_0 Nature of problem Predictions for reactions of low energy e + e - -annihilation into final states containing pions, kaons, light vector mesons, one or more photons and light fermion pairs within the Standard Model and effective models inspired by the Resonance Chiral Theory or Hidden Local Symmetry model. Description of the electromagnetic production of nucleon pairs within the effective Lagrangian approach. Versions of this program held in the CPC repository in Mendeley Data AEDQ_v1_0; carlomat; 10.1016/j.cpc.2009.03.011 AEDQ_v2_0; carlomat, version 2.0; 10.1016/j.cpc.2013.08.023 AEDQ_v3_0; carlomat, version 3.0; 10.1016/j.cpc.2015.06.013 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/wfywv6ndft.1
title: SUSY_FLAVOR: A computational tool for FCNC and CP-violating processes in the MSSM

description: Abstract We present SUSY_FLAVOR – a Fortran 77 program that calculates important leptonic and semi-leptonic low-energy observables in the general R-parity conserving MSSM. For a set of input MSSM parameters, the code gives predictions for the K ¯ 0 K 0 , D ¯ D , B ¯ d B d and B ¯ s B s mixing parameters; B → X s γ , B s , d → l + l − , K L 0 → π 0 ν ¯ ν and K + → π + ν ¯ ν decay branching ratios; and the electric dipole moments of the leptons and the neutron. All these quantities are calculated at one... Title of program: SUSY_FLAVOR Catalogue Id: AEGV_v1_0 Nature of problem Predicting CP-violating observables, meson mixing parameters and branching ratios for a set of rare processes in the general R-parity conserving MSSM. Versions of this program held in the CPC repository in Mendeley Data AEGV_v1_0; SUSY_FLAVOR; 10.1016/j.cpc.2010.07.047 AEGV_v2_0; SUSY FLAVOR v2; 10.1016/j.cpc.2012.11.007 AEGV_v2_5; SUSY FLAVOR v2.5; 10.1016/j.cpc.2014.10.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/5v7xsns8zm.1
title: fgh, a code for the calculation of Coulomb radial wave functions from series expansions ☆ ☆ This program can be downloaded from the CPC Program Library under catalogue identifier: http://cpc.cs.qub.ac.uk/summaries/ADQA

description: Abstract The code FGH is an up-dated version of a code COULFG (see [Seaton, Comput. Phys. Comm. 25 (1982) 87]), used for the calculation of the Coulomb functions f and g, analytic in the energy, for attractive potentials. The new code works for attractive and repulsive potentials and also gives the functions h which have simple asymptotic forms. There is an option to use either the variables (ε, r) customary in atomic physics, or (for positive energies) (η, ρ) customary in nuclear physics. When (η, ρ)... Title of program: FGH Catalogue Id: ADQA_v1_0 Nature of problem Coulomb radial functions are required in problems involving interactions between two charged particles. They depend on the scaled variables: angular momentum l; energy epsilon; radial co-ordinate r. For sufficiently small values of r they can be calculated using power-series expansions. Versions of this program held in the CPC repository in Mendeley Data ADQA_v1_0; FGH; 10.1016/S0010-4655(02)00276-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/cfrkhb6pmc.1
title: Visual tool for estimating the fractal dimension of images

description: Abstract 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 t... Title of program: Fractal Analysis v01 Catalogue Id: AEEG_v1_0 Nature of problem Estimating the fractal dimension of images. Versions of this program held in the CPC repository in Mendeley Data AEEG_v1_0; Fractal Analysis v01; 10.1016/j.cpc.2009.05.015 AEEG_v2_0; Fractal Analysis v02; 10.1016/j.cpc.2009.12.005 AEEG_v3_0; Hyper-Fractal Analysis (Frcatal Analysis v03); 10.1016/j.cpc.2012.11.018 AEEG_v4_0; Hyper-Fractal Analysis v04; 10.1016/j.cpc.2013.02.026 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/h2zgynvmb7.1
title: BilKristal 2.0: A tool for pattern information extraction from crystal structures

description: Abstract We present a revised version of the BilKristal tool of Okuyan et al. (2007). We converted the development environment into Microsoft Visual Studio 2005 in order to resolve compatibility issues. We added multi-core CPU support and improvements are made to graphics functions in order to improve performance. Discovered bugs are fixed and exporting functionality to a material visualization tool is added. Title of program: BilKristal 2.0. Catalogue Id: ADYU_v2_0 Nature of problem Determining the crystal structure parameters of a material is a very important issue in crystallography. Knowing the crystal structure parameters helps the understanding of the physical behavior of material. For complex structures, particularly for materials which also contain local symmetry as well as global symmetry, obtaining crystal parameters can be very hard. Versions of this program held in the CPC repository in Mendeley Data ADYU_v1_0; BilKristal; 10.1016/j.cpc.2007.01.002 ADYU_v2_0; BilKristal 2.0.; 10.1016/j.cpc.2013.09.020 ADYU_v3_0; BilKristal 3.0; 10.1016/j.cpc.2014.09.017 ADYU_v4_0; BilKristal 4.0; 10.1016/j.cpc.2015.04.013 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/jjzxvz4hfd.1
title: An event generator for interactions between hadrons and nuclei — FRITIOF version 7.0

description: Abstract FRITIOF is a Monte Carlo program that implements the Lund string dynamics model for hadron-hadron, hadron-nucleus and nucleus-nucleus collisions. This new version extends from the original low-P_Tconstructions to include hard scattering effects and a more refined treatment of the QCD gluon radiation in terms of a soft radiation model in the colour dipole approximation. This paper includes a brief presentation of the model and a description of the program. Title of program: FRITIOF version 7.0 Catalogue Id: ACHY_v1_0 Nature of problem In high energy hadron-hadron, hadron-nucleus and nucleus-nucleus collisions multi particle final states are produced. The bulk of the particles produced are at low PT. Strong interaction processes are generally non-perturbative and can not yet be fully understood in terms of quantum chromodynamics (QCD). As energy gets higher, some high-PT phenomena begin to appear in accordance with the perturbative calculations in QCD. The problem is to consistently connect the high PT Rutherford scattering an ... Versions of this program held in the CPC repository in Mendeley Data ACHY_v1_0; FRITIOF version 7.0; 10.1016/0010-4655(92)90082-A This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/kd3rj36n5c.1
title: SOS: sequential or simultaneous nuclear multifragmentation

description: Abstract A computer code that simulates the phenomenon of nuclear fragmentation occuring in nuclear collisions at intermediate energies is presented. To underline the observable distinctions between different breakup mechanisms, the code produces multifragment events using a sequential binary decay and a simultaneous breakup resulting in two sets of momenta distributions with the same mass distribution and total energy. Title of program: SOS Catalogue Id: ACHA_v1_0 Nature of problem In nucleus-nucleus collisions with beam energies between a few tens and a few hundreds of MeV per nucleon, intermediate-mass fragments are produced by yet poorly understood reaction mechanisms. A possible way to identify the breakup mechanism is by analyzing the kinematical correlations between the produced fragments. Sequential binary splits and simultaneous multifragmentation provide two instructive opposite extremes. Versions of this program held in the CPC repository in Mendeley Data ACHA_v1_0; SOS; 10.1016/0010-4655(92)90094-F This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/kghfm4t3h4.1
title: GENXICC2.0: An upgraded version of the generator for hadronic production of double heavy baryons Ξ c c , Ξ b c and Ξ b b

description: Abstract An upgraded (second) version of the package GENXICC (A Generator for Hadronic Production of the Double Heavy Baryons Ξ_(c c), Ξ_(b c)and Ξ_(b b)by C.H. Chang, J.X. Wang and X.G. Wu [its first version in: Comput. Phys. Comm. 177 (2007) 467]) is presented. Users, with this version being implemented in PYTHIA and a GNU C compiler, may simulate full events of these processes in various experimental environments conveniently. In comparison with the previous version, in order to implement i... Title of program: GENXICC2.0 Catalogue Id: ADZJ_v2_0 Nature of problem Hadronic production of double heavy baryons Ξ cc , Ξ bc and Ξ bb Versions of this program held in the CPC repository in Mendeley Data ADZJ_v1_0; GENXICC; 10.1016/j.cpc.2007.05.012 ADZJ_v2_0; GENXICC2.0; 10.1016/j.cpc.2010.02.008 ADZJ_v2_1; GENXICC2.1; 10.1016/j.cpc.2012.10.022 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/tf295jvdmg.1
title: Leed intensity curves by the layer-by-layer method and perturbation calculation

description: Title of program: LEED BY LAYERS AND PERTURBATION Catalogue Id: ACKE_v1_0 Nature of problem Experiments with low energy electron diffraction (LEED) are used for investigating the structure of the surface regions of pure crystals and of crystals covered with an adsorbate.... CORRECTION SUMMARY: Vol:Year:Page 0:unpublished:unpublished "000A CORRECTION 28/02/75" "Unpublished correction to LEED intensity curves by the layer-by-layer method and perturbation calculation." J. Rundgren; A. Salwen Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ACKE_v1_0; LEED BY LAYERS AND PERTURBATION; 10.1016/0010-4655(74)90067-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/xbwgxxk55d.1
title: SUSY Les Houches Accord 2 I/O made easy

description: Abstract A library for reading and writing data in the SUSY Les Houches Accord 2 format is presented. The implementation is in native Fortran 77. The data are contained in a single array conveniently indexed by preprocessor statements. Title of program: SLHA2Lib Catalogue Id: AEDY_v1_0 Nature of problem Exchange of SUSY parameters and decay information in an ASCII file format. Versions of this program held in the CPC repository in Mendeley Data AEDY_v1_0; SLHA2Lib; 10.1016/j.cpc.2009.03.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)