cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/5m9n4vyxg9.1
title: Extended Gaussian quadratures for functions with an end-point singularity of logarithmic type

description: Abstract The extended Gaussian quadrature rules are shown to be an efficient tool for numerical integration of wide class of functions with singularities of logarithmic type. The quadratures are exact for the functions pol1 _(n-1)(x)+lnxpol2_(n-1)(x), where pol1_(n-1)(x) and pol2_(n-1)(x) are two arbitrary polynomials of degree n-1 and n is the order of the quadrature formula. We present an implementation of numerical algorithm that calculates the nodes and the weights of the quadrature formul... Title of program: GAUSEXT Catalogue Id: AETP_v1_0 Nature of problem Quadrature formulas for numerical integration, effective for a wide class of functions with end-point singularities of logarithmic type. Versions of this program held in the CPC repository in Mendeley Data AETP_v1_0; GAUSEXT; 10.1016/j.cpc.2014.06.018 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/5zzm6yjwd7.1
title: Analysis of spectroscopic ellipsometric measurements

description: Abstract In recent years spectroscopic ellipsometry has been succesfully to non-destructive characterize multi-layer materials and to monitor surface processes as a function of time. The extraction of the relevant parameters of these samples from the spectroscopic data requires extensive computer analysis. For this purpose the sample is described by means of a stratified-layer theory in combination with an effective medium approximation. The computer program presently discussed performs this analysis ... Title of program: CENTIPEDE Catalogue Id: ACGG_v1_0 Nature of problem The reflection of light at a surface strongly depends on the structural and chemical properties of the surface. Structural features often have a layer-like nature. The chemical properties of the different layers are reflected in the dielectric function that is used for the description of the solid state involved. Mixed layers containing two or more distinguishable compounds, e.g. microcrystallites in a matrix, make part of the problem. Generally, a model in terms of a number of (mixed) layers wi ... Versions of this program held in the CPC repository in Mendeley Data ACGG_v1_0; CENTIPEDE; 10.1016/0010-4655(92)90140-T This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/8nv8bynhyx.1
title: Line-by-line spectroscopic simulations on graphics processing units

description: Abstract We report here on software that performs line-by-line spectroscopic simulations on gases. Elaborate models (such as narrow band and correlated-K) are accurate and efficient for bands where various components are not simultaneously and significantly active. Line-by-line is probably the most accurate model in the infrared for blends of gases that contain high proportions of H_2 O and CO_2as this was the case for our prototype simulation. Our implementation on graphics processing units sustain... Title of program: GPU4RE Catalogue Id: ADZY_v1_0 Nature of problem Simulating radiative transfer on high-temperature high-pressure gases Versions of this program held in the CPC repository in Mendeley Data ADZY_v1_0; GPU4RE; 10.1016/j.cpc.2007.08.013 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/8nzntcxkmm.1
title: FDCSUSYDecay: An MSSM decay package

description: Abstract FDCSUSYDecay is a FORTRAN program package generated by FDC (Feynman Diagram Calculation) system fully automatically. It is dedicated to calculate at tree-level all the possible 2-body decays of SUSY and Higgs particles in the Minimal Supersymmetric extension of the Standard Model (MSSM). The format of its output files complies with SUSY Les Houches Accord and can be easily imported by other packages. Title of program: FDCSUSYDecay (Version 1.00) Catalogue Id: ADYV_v1_0 Nature of problem This package can calculate all the possible SUSY particle and Higgs 2-body decay width and branch ratio at tree-level in the MSSM model. Versions of this program held in the CPC repository in Mendeley Data ADYV_v1_0; FDCSUSYDecay (Version 1.00); 10.1016/j.cpc.2006.12.007 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/gthc2b78bv.1
title: Fortran and C programs for the time-dependent dipolar Gross–Pitaevskii equation in an anisotropic trap

description: Abstract Many of the static and dynamic properties of an atomic Bose–Einstein condensate (BEC) are usually studied by solving the mean-field Gross–Pitaevskii (GP) equation, which is a nonlinear partial differential equation for short-range atomic interaction. More recently, BEC of atoms with long-range dipolar atomic interaction are used in theoretical and experimental studies. For dipolar atomic interaction, the GP equation is a partial integro-differential equation, requiring complex algorithm for i... Title of program: (i) imag1d, (ii) imag2d, (iii) imag3d, (iv) real1d, (v) real2d, (vi) real3d Catalogue Id: AEWL_v1_0 Nature of problem These programs are designed to solve the time-dependent nonlinear partial differential Gross-Pitaevskii (GP) equation with contact and dipolar interactions in one, two or three space dimensions in a harmonic anisotropic trap. The GP equation describes the properties of a dilute trapped Bose-Einstein condensate. Versions of this program held in the CPC repository in Mendeley Data AEWL_v1_0; (i) imag1d, (ii) imag2d, (iii) imag3d, (iv) real1d, (v) real2d, (vi) real3d; 10.1016/j.cpc.2015.03.024 AEWL_v2_0; DBEC-GP-CUDA package, consisting of: (i) imag2dXY-cuda, (ii) imag2dXZ-cuda, (iii) imag3d-cuda, (iv) real2dXY-cuda, (v) real2dXZ-cuda, (vi) real3d-cuda.; 10.1016/j.cpc.2015.11.014 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/m2cfht4ksm.1
title: ZPC 1.0.1: a parton cascade for ultrarelativistic heavy ion collisions

description: Abstract A Monte Carlo program solving the Boltzmann equation for partons via the cascade method is presented. At presented, only gluon-gluon elastic scattering is included. The scattering cross section is regulated by a medium generated screening mass. Three different geometric modes (3-dimensional expansion, 1-d expansion, and scattering inside a box) are provided for both the theoretical study of parton transport and the application of the cascade method. Space cell division is available to save th... Title of program: ZPC 1.0.1 Catalogue Id: ADHS_v1_0 Nature of problem In ultrarelativistic heavy ion collisions, perturbative QCD predicts the production of a large number of minijet gluons. The gluon system produced near central rapidity can be considered as an almost longitudinal boost invariant and baryon free system. Gluons inside this hot matter will interact among themselves before hadronization. The effect of the final parton interaction on the global variables should be studied to match the experimental observables to the pQCD predictions. Versions of this program held in the CPC repository in Mendeley Data ADHS_v1_0; ZPC 1.0.1; 10.1016/S0010-4655(98)00010-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/nsf8j3fnds.1
title: The lund monte carlo for high- p T physics

description: Title of program: PYTHIA Catalogue Id: ACCB_v1_0 Nature of problem In high pT reactions, QCD, the candidate theory of strong interactions, can be used to calculate perturbatively the subprocesses on the parton level: the probability for two quarks or gluons reacting, their momentum distributions, etc. However, what is experimentally observed is the final state hadrons, not the partons themselves. Hence, to be able accurately to predict the outcome of an experiment, one needs to take into account the hadronization process. We present a Monte Carlo program for hi ... Versions of this program held in the CPC repository in Mendeley Data ACCB_v1_0; PYTHIA; 10.1016/0010-4655(84)90018-3 ACCB_v2_0; PYTHIA 3.4; 10.1016/0010-4655(85)90003-7 ACCB_v3_0; PYTHIA 4.8; 10.1016/0010-4655(87)90036-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/v4727kb65f.1
title: Symbolic computation of the phoretic acceleration of convex particles suspended in a non-uniform gas

description: Abstract A package has been developed for calculating analytic expressions for forces and torques onto an arbitrarily shaped convex tracer (aerosol) particle small compared to the mean free path of the surrounding nonequilibrium gas. The package Phoretic allows to compute analytical (and also numerical) expressions for forces and torques stemming from elastic and diffusive scattering processes parameterized by an accommodation coefficient. The method is based on calculating half-sphere integral tensor... Title of program: PHORETIC Catalogue Id: ADYI_v1_0 Nature of problem Starting from a non-uniform velocity distribution function of a gas in terms of its moments, i.e., field variables, and field gradients such as temperature, pressure, or velocity field, the problem is to analytically calculate forces and torques acting onto arbitrarly shaped convex tracer (aerosol) particles small in size compared to the mean free path of the gas. The collision process is modeled as a superposition of elastic and diffusive scattering processes (parameterized by 0 ≤ α ≤ 1). Versions of this program held in the CPC repository in Mendeley Data ADYI_v1_0; PHORETIC; 10.1016/j.cpc.2006.06.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/vrct5t959n.1
title: 3D simulation of the Cluster–Cluster Aggregation model

description: Abstract We write a program to implement the Cluster–Cluster Aggregation (CCA) model with java programming language. By using the simulation program, the fractal aggregation growth process can be displayed dynamically in the form of a three-dimensional (3D) figure. Meanwhile, the related kinetics data of aggregation simulation can be also recorded dynamically. Compared to the traditional programs, the program has better real-time performance and is more helpful to observe the fractal growth process, w... Title of program: CCA Catalogue Id: AEUK_v1_0 Nature of problem The programs for the CCA model published are very rare, and are mostly in the form of a 2D figure. So, existing computer simulation programs can't well simulate the fractal aggregation. Compared to the existing programs, our simulation program for the CCA model in the form of a 3D figure can better simulate the process dynamically. Versions of this program held in the CPC repository in Mendeley Data AEUK_v1_0; CCA; 10.1016/j.cpc.2014.08.017 AEUK_v2_0; CCA v02; 10.1016/j.cpc.2016.03.016 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/x7kf96rdj3.1
title: Multi-electron systems in strong magnetic fields I: The 2D Landau–Hartree–Fock–Roothaan method

description: Abstract We present a 2-dimensional Hartree-Fock-Roothaan code to calculate wave functions and energies of light to heavy atoms in strong external magnetic fields, as they occur in the vicinity of neutron stars. The code enhances the previously presented HFFER II method, resulting in a very high precision for the energies with typical deviations less than 1% compared to extremely precise fixed-phase diffusion quantum Monte Carlo calculations. Despite this high precision the code is highly optimized re... Title of program: 2DLHFR Catalogue Id: AETE_v1_0 Nature of problem The modelling of highly magnetised atmospheres of neutron stars and magnetic white dwarfs is a difficult task and is further complicated by the lack of atomic data. The absorption features in the thermal emission spectra of neutron stars are still not fully understood, which leads to different interpretations and thus large uncertainties for the atmospheric parameters, such as the magnetic field strength, the gravitational redshift, or the predominant atomic composition. Therefore, a fast and re ... Versions of this program held in the CPC repository in Mendeley Data AETE_v1_0; 2DLHFR; 10.1016/j.cpc.2014.05.005 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/xjxvvsrdjb.1
title: Two computer programs for solving the Schrödinger equation for bound-state eigenvalues and eigenfunctions using the Fourier grid Hamiltonian method

description: Abstract Two computer programs (FGHEVEN and FGHFFT) for solving the one-dimensional Schrödinger equation for bound-state eigenvalues and eigenfunctions are presented. Both computer programs are based on the Fourier grid Hamiltonian method (J. Chem. Phys. 91 (1989) 3571). The method is exceptionally simple and robust. It relies on using the momentum representation for the kinetic energy operator and the coordinate representation for the potential energy. The first computer program (FGHEVEN) is based on... Title of program: FGHFFT Catalogue Id: ACBQ_v1_0 Nature of problem The program solves the one dimensional Schrodinger equation numerically to any desired degree of accuracy. The solutions are needed in molecular spectroscopy, molecular scattering theory and photodissoci- ation theory. They may also be used as a component of a more extensive code for solving the Schrodinger equation in more than one dimension. Versions of this program held in the CPC repository in Mendeley Data acbq_v1_0; FGHFFT; 10.1016/0010-4655(91)90023-E This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/yjy7xy8j7f.1
title: A Monte Carlo program for generating hadronic final states

description: Abstract FIRST is a computer program to generate final state from high energy hadronic interactions using the Monte Carlo technique. It is based on a theoretical model in which the high degree of universality in such interactions is related with the existence of highly excited quark-antiquark bound states, called fire-strings. The program handles the decay of both fire-strings and unstable particles produced in the intermediate states. Title of program: FIRST Catalogue Id: ACBR_v1_0 Nature of problem Hadronic final states, originating from high energy collisions, show a high degree of universality in both physical composition and geometrical structure, thus suggesting a common underlying dynamics. A theoretical model, based on Quark-Geometro-Dynamics and Anisotropic-Chromo-Dynamics (QGD/ACD) and extensively developed in the last years is able to explain this relevant feature using highly excited quark-antiquark bound states (confined), called FireStrings (FS). The model assumes that the coll ... Versions of this program held in the CPC repository in Mendeley Data ACBR_v1_0; FIRST; 10.1016/0010-4655(91)90024-F This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/3jnz7gh4fm.1
title: ABSFAC: A program for the calculation of the absorption during scattering in multifaceted crystals and similar samples

description: Abstract ABSFAC is a FORTRAN program that rapidly and efficiently calculates the absorption factor, T, in multifaceted convex crystals and in other materials whose shape can be modeled by a convex polyhedron. The program also calculates derivatives of T with respect to small outward movements of the polyhedron faces and the mean path length for the scattered rays. Although written for X-ray scattering, the programme is relevant to other scattering provided the underlying assumptions are valid. The pro... Title of program: ABSFAC Catalogue Id: ADHT_v1_0 Nature of problem The calculation of the absorption during scattering of X-rays in crystals; the scattering of neutrons and other radiation from polyhedral samples satisfying the basic assumptions. Versions of this program held in the CPC repository in Mendeley Data ADHT_v1_0; ABSFAC; 10.1016/S0010-4655(98)00015-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/4w7nrdh8pr.1
title: SuSpect: A Fortran code for the Supersymmetric and Higgs particle spectrum in the MSSM

description: Abstract We present the Fortran code SuSpect version 2.3, which calculates the Supersymmetric and Higgs particle spectrum in the Minimal Supersymmetric Standard Model (MSSM). The calculation can be performed in constrained models with universal boundary conditions at high scales such as the gravity (mSUGRA), anomaly (AMSB) or gauge (GMSB) mediated supersymmetry breaking models, but also in the non-universal MSSM case with R-parity and CP conservation. Care has been taken to treat important features su... Title of program: SuSpect Catalogue Id: ADYR_v1_0 Nature of problem SuSpect calculates the supersymmetric and Higgs particle spectrum (masses and some other relevant parameters) in the unconstrained Minimal Supersymmetric Standard Model (MSSM), as well as in constrained models (cMSSMs) such as the minimal Supergravity (mSUGRA), the gauge mediated (GMSB) and anomaly mediated (AMSB) Supersymmetry breaking scenarii. The following features and ingredients are included: renormalization group evolution between low and high energy scales, consistent implementation of r ... Versions of this program held in the CPC repository in Mendeley Data ADYR_v1_0; SuSpect; 10.1016/j.cpc.2006.11.009 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/8vnypzjs58.1
title: Alignment of fiducial marks in a tomographic tilt series with an unknown rotation axis

description: Abstract Alignment for tomography using a transmission electron microscopy frequently uses colloidal gold particles as fiducial reference marks. Typically, there is an implicit assumption that the tilt axis of the tomographic series is orthogonal to the beam direction. However, this may not be true, either intentionally, if a tilt-rotate stage is used, or unintentionally, because of mechanical errors in the rotation stage or the sample fixture. Here, we provide a computer code which takes as input a s... Title of program: particleTilt Catalogue Id: ADYW_v1_0 Nature of problem The program is used to assist the alignment step in tomography. The samples should be prepared with spherical particles (typically gold beads) which are observed in several views. (Not every particle need be observed in every view.) The program reports coordinates of a 3D model of the particles as well as the direction of the tilt axis as a point on the unit sphere. Versions of this program held in the CPC repository in Mendeley Data ADYW_v1_0; particleTilt; 10.1016/j.cpc.2007.01.008 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/b9mm2xjf5v.1
title: Fast computation of computer-generated hologram using Xeon Phi coprocessor

description: Abstract We report fast computation of computer-generated holograms (CGHs) using Xeon Phi coprocessors, which have massively x86-based processors on one chip, recently released by Intel. CGHs can generate arbitrary light wavefronts, and therefore, are promising technology for many applications: for example, three-dimensional displays, diffractive optical elements, and the generation of arbitrary beams. CGHs incur enormous computational cost. In this paper, we describe the implementations of several CG... Title of program: Xeon-Phi-CGH Catalogue Id: AETM_v1_0 Nature of problem We describe how to program fast computation of computer-generated holograms (CGHs) and diffraction calculation using Xeon Phi coprocessors, released by Intel. We describe the implementations of several CGH generating algorithms on the Xeon Phi, and the comparisons in terms of the performance and the ease of programming between the Xeon Phi, a CPU and graphics processing unit (GPU). Versions of this program held in the CPC repository in Mendeley Data AETM_v1_0; Xeon-Phi-CGH; 10.1016/j.cpc.2014.06.010 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/c5ww797rfb.1
title: Development of the FUMILI minimization package

description: Abstract The suggested FUMILI package development has the following advantages: a more convenient and friendly user interface; no limit on the number of parameters and experimental points; speed advantage when the number of parameters is high enough; there are options to ignore wrong experimental points and correct experimental errors. The preliminary scan is envisaged for complicated tasks. All programs are written in FORTRAN-77. The investigation has been performed at the Veksler and Baldin Laborato... Title of program: FUMILIM Catalogue Id: AEQF_v1_1 Nature of problem To minimise χ 2 -functional. Versions of this program held in the CPC repository in Mendeley Data AEQF_v1_0; FUMILIM; 10.1016/j.cpc.2013.08.001 AEQF_v1_1; FUMILIM; 10.1016/j.cpc.2014.05.015 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/d6kwffvnn8.1
title: Migpore, a code package for the estimation of migration of radioactive species in a porous medium

description: Abstract In the event of an accidental leakage of high level radioactive waste buried deep in repositories surrounded by rock, the build up of the concentration of the radioactive species within the rock needs to be assessed. Towards this, we follow the model of Chen and Li and provide a numerical code to solve the relevant partial differential equations using a compact finite difference scheme. Title of program: Migpore Catalogue Id: AEQI_v1_0 Nature of problem We consider the case of an accidental leakage of high level radioactive waste into the surrounding rock (a porous medium). Versions of this program held in the CPC repository in Mendeley Data AEQI_v1_0; Migpore; 10.1016/j.cpc.2013.08.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/h9nfm5t5nn.1
title: PDRF: A general dispersion relation solver for magnetized multi-fluid plasma

description: Abstract A general dispersion-relation solver that numerically evaluates the full propagation properties of all the waves in fluid plasmas is presented. The effects of anisotropic pressure, external magnetic fields and beams, relativistic dynamics, as well as local plasma inhomogeneity are included. Title of program: PDRF Catalogue Id: AERF_v1_0 Nature of problem This dispersion relation solver calculates all the solutions and gives corresponding polarizations for magnetized fluid plasma with arbitrary number of components and arbitrary orient wave vector, with and without anisotropic pressure, relativistic, beam and local inhomogeneity effects. Versions of this program held in the CPC repository in Mendeley Data AERF_v1_0; PDRF; 10.1016/j.cpc.2013.10.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/hntx3r95cx.1
title: Extension of HPL to complex arguments

description: Abstract In this paper we describe the extension of the Mathematica package HPL to treat harmonic polylogarithms of complex arguments. The harmonic polylogarithms have been introduced by Remiddi and Vermaseren [E. Remiddi, J.A.M. Vermaseren, Int. J. Modern Phys. A 15 (2000) 725, hep-ph/9905237] and have many applications in high energy particle physics. Title of program: HPL Catalogue Id: ADWX_v2_0 Nature of problem Computer algebraic treatment of the harmonic polylogarithms which appear in the evaluation of Feynman diagrams. Versions of this program held in the CPC repository in Mendeley Data ADWX_v1_0; HPL; 10.1016/j.cpc.2005.10.008 ADWX_v2_0; HPL; 10.1016/j.cpc.2011.11.015 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)