cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/xfpvbhy2wt.1
title: Atomic self-consistent-field program by the basis set expansion method: Columbus version

description: Abstract A revised version of this program has been completed. The principal feature added is a way to control orbital exponent optimization so that adjacent exponent values do not collapse together. In addition, use has been made of more Fortran 90 capabilities. The tables of open-shell energy coefficients have been corrected and expanded to a few more states. An updated version of the 2005 full paper is available online as Supplementary Material at doi:10.1016/j.cpc.2012.02.009. A revised version of... Title of program: atmscf Catalogue Id: ADVR_v2_0 Nature of problem Energies and wave functions of atoms, at the Hartree-Fock level. Versions of this program held in the CPC repository in Mendeley Data ADVR_v1_0; atmscf; 10.1016/j.cpc.2005.04.003 ADVR_v2_0; atmscf; 10.1016/j.cpc.2012.02.009 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/yjy8bhrrcr.1
title: Simulation of chemical profiles during electrotransport

description: Title of program: ELECTROTRANSPORT SIMULATION Catalogue Id: ACIA_v1_0 Nature of problem The chemical profiles resulting from electrotransport segregation of the components of a liquid binary alloy are simulated through a repetitive calculation based on the concept of competitive transfer of momentum. The simulation is designed for the experimental capillary- reservoir configuration and has produced chemical profiles which are in agreement with experimental results. The simulation is useful in the selection of alloy systems for study and in making proper adjustments in the experimen ... Versions of this program held in the CPC repository in Mendeley Data ACIA_v1_0; ELECTROTRANSPORT SIMULATION; 10.1016/0010-4655(73)90080-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/z9mpsfsw7c.1
title: TiReX: Replica-exchange molecular dynamics using Tinker

description: Abstract We present a driver program for performing replica-exchange molecular dynamics simulations with the Tinker package. Parallelization is based on the Message Passing Interface, with every replica assigned to a separate process. The algorithm is not communication intensive, which makes the program suitable for running even on loosely coupled cluster systems. Particular attention is paid to the practical aspects of analyzing the program output. Title of program: TiReX Catalogue Id: AEEK_v1_0 Nature of problem Replica-exchange molecular dynamics. Versions of this program held in the CPC repository in Mendeley Data AEEK_v1_0; TiReX; 10.1016/j.cpc.2009.06.005 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/zkv7rdkfmc.1
title: DPEMC: A Monte Carlo for double diffraction

description: Abstract We extend the POMWIG Monte Carlo generator developed by B. Cox and J. Forshaw, to include new models of central production through inclusive and exclusive double Pomeron exchange in proton–proton collisions. Double photon exchange processes are described as well, both in proton–proton and heavy-ion collisions. In all contexts, various models have been implemented, allowing for comparisons and uncertainty evaluation and enabling detailed experimental simulations. Title of program: DPEMC version 2.4 Catalogue Id: ADVF_v1_0 Nature of problem Proton diffraction at hadron colliders can manifest itself in many forms, and a variety of models exist that attempt to describe it [1, 2, 3, 4, 5]. This program implements some of the more significant ones, enabling the simulation of central particle production through color singlet exchange between interacting protons or antiprotons. Versions of this program held in the CPC repository in Mendeley Data ADVF_v1_0; DPEMC version 2.4; 10.1016/j.cpc.2005.01.002 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/zyzbg2ssbk.1
title: Tools for NLO automation: Extension of the golem95C integral library

description: Abstract We present an extension of the program golem95C for the numerical evaluation of scalar integrals and tensor form factors entering the calculation of one-loop amplitudes, which supports tensor ranks exceeding the number of propagators. This extension allows various applications in Beyond the Standard Model physics and effective theories, for example higher ranks due to propagators of spin two particles, or due to effective vertices. Complex masses are also supported. The program is not restric... Title of program: golem95-1.3.0 Catalogue Id: AEEO_v3_0 Nature of problem Evaluation of one-loop multi-leg integrals occurring in the calculation of next-to-leading order corrections to scattering amplitudes in particle physics. In the presence of particles with spin two in the loop, or effective vertices, or certain gauges, tensor integrals where the rank exceeds the number of propagators N are required. Versions of this program held in the CPC repository in Mendeley Data AEEO_v1_0; golem95_v1.0; 10.1016/j.cpc.2009.06.024 AEEO_v2_0; golem95-1.2.0; 10.1016/j.cpc.2011.05.015 AEEO_v3_0; golem95-1.3.0; 10.1016/j.cpc.2014.03.009 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/56yn529hvw.1
title: SHELL2: a package for the calculation of two-loop on-shell Feynman diagrams in FORM

description: Abstract The description of a program written in FORM for the analytic calculation of propagator-type one- and two-loop Feynman graphs with external lines corresponding to massive as well as massless particles on-shell is presented. Dimensional regularization to regularize both ultraviolet and infrared divergences is used. The program calculates the contributions from any such diagram for an arbitrary value of the space-time dimension n in terms of one “master integral” and two simple integrals expres... Title of program: SHELL2 Catalogue Id: ACHZ_v1_0 Nature of problem Dimensionally regularized multiloop massive Feynman integrals of the propagator type appearing in quantum field theory and in particular in high energy calculations are computed analytically. Versions of this program held in the CPC repository in Mendeley Data ACHZ_v1_0; SHELL2; 10.1016/0010-4655(92)90083-B This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/8cfnwc29nh.1
title: ee4f γ—A program for e + e −→4f,4fγ with nonzero fermion masses

description: Abstract A computer program ee4fγ for calculating cross-sections of any four fermion final state of e^+ e^- -annihilation at high energy and the corresponding bremsstrahlung reaction that is possible in the framework of the Standard Model is presented. As the fermion masses are arbitrary, the cross-sections for channels that do not contain e^+and/or e ^-in the final state can be computed without any collinear cut, the on-shell top quark production can be studied and the Higgs boson exchange can be... Title of program: ee4fγ Catalogue Id: ADTQ_v1_0 Nature of problem Description of all e + e - -&gt; 4 fermions and corresponding bremsstrahlung reactions that are possible in the Standard Model (SM) to lowest order and with nonzero fermion masses at center of mass energies typical for next generation linear colliders. Such reactions are relevant, typically, for W-pair or intermediate mass Higgs boson production and decay. Versions of this program held in the CPC repository in Mendeley Data ADTQ_v1_0; ee4fγ; 10.1016/j.cpc.2004.03.001 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/8v4rmrhfw4.1
title: Integral of a product of three 6-dimensional spherical harmonics

description: Abstract A FORTRAN program is presented for the evaluation of the integral of a product of three 6-dimensional spherical harmonics over the surface of the unit 6-sphere. The functions have a classification according to the chain of groups O(6)⊃S O (2)×SU(3)⊃SO(3)⊃SO(2), introduced originally by Dragt. This scheme provides four quantum numbers plus a multiplicity label, thus giving rise to a non-orthogonal basis for which general analytic expressions are kno... Title of program: HHMTX Catalogue Id: ACHX_v1_0 Nature of problem Approximate eigenvalues and eigenfunctions for a Schrodinger equation H Psi = E Psi may be obtained by diagonalization of a truncated matrix of the intrinsic Hamiltonian H with respect to a complete set of functions depending on the relative vectors. In a system of three interacting bodies the matrix elements involve integrals of a product of two and three Dragt harmonics when the relative vectors are transformed to a set of 6-dimensional spherical coordinates and the harmonics are used as basis ... Versions of this program held in the CPC repository in Mendeley Data ACHX_v1_0; HHMTX; 10.1016/0010-4655(92)90081-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/b757kzffjc.1
title: POWDERSPEC 2, a library of new programs for efficient simulation of powder EPR spectra

description: Abstract POWDERSPEC 2 is a library of Fortran programs, AXIPRO, AXIANI and CUBIC, for simulating second order powder patterns and electron paramagnetic resonance (EPR) spectra of ions in various important crystal field symmetries. These are the following: AXIPRO is for any spin in axial symmetry. It includes the angle-dependent transition probability for S= 5 2 . AXIANI is for axial symmetry with axially anisotropic ... Title of program: POWDERSPEC 2 Catalogue Id: ACGX_v2_0 [ACTD] Nature of problem The interpretation of electron paramagnetic resonance (EPR) spectra of randomly oriented paramagnetic ions is a difficult problem because the random orientation of the crystallites smears out of the spectral features which depend on the angular position. The main features in these spectra can be predicted from the corresponding absorption functions or powder patterns, and the EPR spectrum can be simulated by the convolution of these powder patterns with first-derivatives of adequate lineshape fu ... Versions of this program held in the CPC repository in Mendeley Data ACGX_v1_0; POWDERSPEC; 10.1016/0010-4655(92)90177-Z ACGX_v2_0; POWDERSPEC 2; 10.1016/0010-4655(94)90192-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/dkr3cpvf82.1
title: JETNET 3.0—A versatile artificial neural network package

description: Abstract An F77 package for feed-forward artificial neural network data processing, JETNET 3.0, is presented. It represents a substantial extension and generalization of an earlier release, JETNET 2.0. The package, which consists of a set of subroutines, is focused on multilayer perceptron architectures. As compared to earlier versions it contains a variety of minimization options, measures for monitoring the learning process, limited precision emulation, etc. Also, the reader is provided with a set o... Title of program: JETNET VERSION 3.0 Catalogue Id: ACGV_v2_0 [ACTP] Nature of problem Challenging pattern recognition and non-linear modelling problems within high energy physics, ranging from off-line and on-line parton (or other constituent) identification tasks to accelerator beam control. Standard methods for such problems are typically confined to linear dependencies like Fischer discriminants, principal components analysis and ARMA models. Versions of this program held in the CPC repository in Mendeley Data ACGV_v1_0; JETNET 2.0; 10.1016/0010-4655(92)90099-K ACGV_v2_0; JETNET VERSION 3.0; 10.1016/0010-4655(94)90120-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/gkxn2wgsyz.1
title: OPUCEM: A library with error checking mechanism for computing oblique parameters

description: Abstract After a brief review of the electroweak radiative corrections to gauge-boson self-energies, otherwise known as the direct and oblique corrections, a tool for calculation of the oblique parameters is presented. This tool, named OPUCEM, brings together formulas from multiple physics models and provides an error-checking machinery to improve reliability of numerical results. It also sets a novel example for an “open-formula” concept, which is an attempt to improve the reliability and reproducibi... Title of program: OPUCEM (library) Catalogue Id: AEIW_v1_0 Nature of problem The calculation of Electroweak Precision variables for each point of the parameter space of a given beyond the Standard Model theory is tedious and error prone. The available formulas in the literature sometimes contain typos and most of the time they are valid only under some specific conditions, not suitable for quick comparison across different studies nor direct implementation on a computer. Versions of this program held in the CPC repository in Mendeley Data AEIW_v1_0; OPUCEM (library); 10.1016/j.cpc.2011.04.018 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/gm9wgjntv9.1
title: Improved Monte Carlo calculation of multiple scattering effects in thermal neutron scattering experiments

description: Title of program: MSCAT85 Catalogue Id: ACIC_v2_0 [AAFR] Nature of problem In a thermal neutron scattering experiment, the measured cross-section includes both single and multiple scattering contributions. The single scattering can only be reliably obtained from the measurements if one has an estimate for the multiple scattering. MSCAT85 is designed to simulate a neutron scattering experiment, and may be used to provide an estimate of multiple scattering cross-sections which may then be used to correct experimental results for multiple scattering. ADAPTATION SUMMARY ... Versions of this program held in the CPC repository in Mendeley Data ACIC_v1_0; SLOW NEUTRON MULTIPLE SCATTERING; 10.1016/0010-4655(74)90028-9 ACIC_v2_0; MSCAT85; 10.1016/0010-4655(86)90118-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/h89dm26y2x.1
title: Electronic structure calculation for N-electron quantum dots

description: Abstract The Hartree–Fock method for calculating the electronic structure of N-electron quantum dot systems was implemented in Mathematica using an easily understood modular code. Calculations were performed for quantum dot systems containing up to N=18 electrons. The energy spectra obtained are in good agreement with those previously calculated using density functional theory. Qualitative agreement with an experimental spectrum is also obtained. Title of program: QDHartreeFock.nb v 1.0 Catalogue Id: ADPE_v1_0 Nature of problem Electronic structure of N-electrons confined in a quantum dot. Versions of this program held in the CPC repository in Mendeley Data ADPE_v1_0; QDHartreeFock.nb v 1.0; 10.1016/S0010-4655(01)00401-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/hrtkpgmm4r.1
title: Motion4D – A library for lightrays and timelike worldlines in the theory of relativity

description: Abstract The Motion4D-library solves the geodesic equation as well as the parallel- and Fermi–Walker-transport in four-dimensional Lorentzian spacetimes numerically. Initial conditions are given with respect to natural local tetrads which are adapted to the symmetries or the coordinates of the spacetime. Beside some already implemented metrics like the Schwarzschild and Kerr metric, the object oriented structure of the library permits to implement other metrics or integrators in a straight forward man... Title of program: Motion4D-library Catalogue Id: AEEX_v1_0 Nature of problem Solve geodesic equation, parallel and Fermi-Walker transport in four-dimensional Lorentzian spacetimes. Versions of this program held in the CPC repository in Mendeley Data AEEX_v1_0; Motion4D-library; 10.1016/j.cpc.2009.07.014 AEEX_v2_0; Motion4D-library; 10.1016/j.cpc.2009.10.021 AEEX_v3_0; Motion4D-library; 10.1016/j.cpc.2011.02.009 AEEX_v3_1; Motion4D-library; 10.1016/j.cpc.2014.04.020 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/m8s7gtxh9s.1
title: Elastic scattering of electrons and positrons by atoms. Schrödinger and Dirac partial wave analysis

description: Abstract Two FORTRAN 77 codes are described which provide a complete description of elastic scattering of electrons and positrons by atoms using the static field approximation with non-relativistic (Schrödinger) and relativistic (Dirac) partial wave analysis. The delivered information includes phase shifts, differential cross-sections, scattering amplitudes and percentage points of the single scattering angular distribution. The scattering field may be internally generated by the codes (which incorpor... Title of program: PWASCH AND PWADIR Catalogue Id: ACJX_v1_0 Nature of problem These codes provide a complete description of elastic scattering of electrons and positrons by neutral atoms. They use the static field approximation with non-relativistic (Schrodinger) and relativistic (Dirac) partial wave analysis. ... CORRECTION SUMMARY: Vol:Year:Page 0:unpublished:unpublished "000A CORRECTION 08/08/96" "Unpublished correction to elastic scattering of electrons and positrons by atoms. Schrodinger and Dirac partial wave analysis. (C. P.C. 74(1993)358)." F. Salvat; R. Mayol Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ACJX_v1_0; PWASCH AND PWADIR; 10.1016/0010-4655(93)90019-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/5g7s2crbyf.1
title: Mie scattering by ensembles of particles with very large size parameters

description: Abstract We present a computer program for the simulation of Mie scattering in case of arbitrarily large size parameters. The elements of the scattering matrix, efficiency factors as well as the corresponding cross-sections, the albedo and the scattering asymmetry parameter are calculated. Single particles as well as particle ensembles consisting of several components and particle size distributions can be considered. Title of program: <b><i>miex</i></b> Catalogue Id: ADUD_v1_0 Nature of problem Among a variety of applications, Mie scattering is of essential importance for the continuum radiative transfer in cosmic dust configurations. In this particular case, Mie theory describes the interaction of electromagnetic radiation with spherical dust grains on the basis of their complex refractive index and size parameter. Both, broad grain size distributions (radii a: nanometers -- millimeters) and a very wide wavelength range (λ ≈ 10 -10 -10 -2 m) of the interacting radiation are considered ... Versions of this program held in the CPC repository in Mendeley Data ADUD_v1_0; <b><i>miex</i></b>; 10.1016/j.cpc.2004.06.070 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/6f5837dx3z.1
title: ADF95: Tool for automatic differentiation of a FORTRAN code designed for large numbers of independent variables

description: Abstract ADF95 is a tool to automatically calculate numerical first derivatives for any mathematical expression as a function of user defined independent variables. Accuracy of derivatives is achieved within machine precision. ADF95 may be applied to any FORTRAN 77/90/95 conforming code and requires minimal changes by the user. It provides a new derived data type that holds the value and derivatives and applies forward differencing by overloading all FORTRAN operators and intrinsic functions. An effic... Title of program: ADF95 Catalogue Id: ADVI_v1_0 Nature of problem In many areas in the computational sciences first order partial derivatives for large and complex sets of equations are needed with machine precision accuracy. For example, any implicit or semi-implicit solver requires the computation of the Jacobian matrix, which contains the first derivatives with respect to the independent variables. ADF95 is a software module to facilitate the automatic computation of the first partial derivatives of any arbitrarily complex mathematical FORTRAN expression. T ... Versions of this program held in the CPC repository in Mendeley Data ADVI_v1_0; ADF95; 10.1016/j.cpc.2005.01.011 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/9c29pwhr3j.1
title: Code for calculating the vertical distribution of radon isotopes and their progeny in the atmosphere

description: Abstract A one-dimensional time-dependent eddy-transport model is developed for estimating the vertical distributions of ^(222)Rn, ^(220)Rn and their progeny, activity ratios of progeny to parent, unattached fraction and equilibrium factor in the Earth's lower atmosphere. The model takes into account radioactive decay, attachment to aerosol particles, recoil, dry deposition, rainout and washout processes. The turbulent diffusion equations are solved numerically using a backward time centred space ... Title of program: VERDI Catalogue Id: ADPB_v1_0 Nature of problem Radon (222Rn) and thoron (220Rn) are inert radioactive gases produced in the Earth's crust by decay of 226Ra and 224Ra, respectively. Transported through soil, these gases enter the atmosphere where they undergo meteorological processes. Their decay products react with trace gases and water vapors. These freshly formed clusters attach to existing aerosol particles. As a consequence of radioactive decay, a cluster may desorb from its host by recoil. All progeny, whether attached or not, are remov ... Versions of this program held in the CPC repository in Mendeley Data ADPB_v1_0; VERDI; 10.1016/S0010-4655(01)00299-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/fp7rzsjc99.1
title: carlomat: A program for automatic computation of lowest order cross sections

description: Abstract The current version of carlomat, a program for automatic computation of the lowest order cross sections of multiparticle reactions, is described. The program can be used as the Monte Carlo generator of unweighted events as well. Title of program: carlomat Catalogue Id: AEDQ_v1_0 Nature of problem Description of two particle scattering reactions with possibly up to 10 particles in the final state with a complete set of the Feynman diagrams in the lowest order of the Standard Model. 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/htyxdh29w7.1
title: Quantum game simulator, using the circuit model of quantum computation

description: Abstract We present a general two-player quantum game simulator that can simulate any two-player quantum game described by a 2 × 2 payoff matrix (two strategy games).The user can determine the payoff matrices for both players, their strategies and the amount of entanglement between their initial strategies. The outputs of the simulator are the expected payoffs of each player as a function of the other player's strategy parameters and the amount of entanglement. The simulator also produces contour ... Title of program: Quantum Game Simulator (QGS) Catalogue Id: AEED_v1_0 Nature of problem Simulation of two player quantum games described by a payoff matrix. Versions of this program held in the CPC repository in Mendeley Data AEED_v1_0; Quantum Game Simulator (QGS); 10.1016/j.cpc.2009.05.007 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)