cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/vy8xz7t4s3.1
title: Single-particle calculations in an axially deformed Woods-Saxon potential with Cassinian ovals parametrization of the shape deformation

description: Abstract Single-particle energies and wave functions of an axially deformed Woods-Saxon potential are computed. The nuclear shape may be defined in terms of an expansion into spherical harmonics or in terms of Cassinian oval parameterization. The standard liquid drop model constants, effective barriers for the unbound states, single-particle quadrupole moments and g-factors are also calculated. The applied shape parameterization of the potential well allows to generate the single particle orbitals als... Title of program: CASSINI Catalogue Id: ADCL_v1_0 Nature of problem Single-particle energies and wave functions of an axially deformed Woods-Saxon potential are computed. The Hamiltonian used includes the spin-orbit interaction and the Coulomb potential for protons. The nuclear shape may be defined in terms of an expansion into spherical harmonics or in terms of Cassinian oval parameterization. The standard liquid drop model constants, effective barriers for the unbound states, single-particle quadrupole moments and g-factors are also calculated. The applied sha ... Versions of this program held in the CPC repository in Mendeley Data ADCL_v1_0; CASSINI; 10.1016/0010-4655(95)00117-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/y827tnnwh4.1
title: Reduced event-list on an array for many-body simulation

description: Abstract For N-body simulations, event-list is used to store timing information about potential interactions between pairs of N particles. We reported that the number of entry of the list can be reduced much smaller than the number of potential interactions and the reduction improves performance of simulation. Small list can be handled easily using array structure. In this article, we reimplement the method with an array, instead of complex tree, and find that the optimal number of entry is about N. W... Title of program: N_3dim Catalogue Id: ADBE_v1_0 Nature of problem Inelastic colliding N-body simulations without mutual attractive force, such as some kind of molecular dynamics [1] or dynamics of planetary ringlets [2]. Versions of this program held in the CPC repository in Mendeley Data ADBE_v1_0; N_3dim; 10.1016/0010-4655(94)00161-T This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/3dwdznbb49.1
title: Abel ODEs: Equivalence and integrable classes

description: Abstract A classification, according to invariant theory, of non-constant invariant Abel ODEs known as solvable and found in the literature is presented. A set of new integrable classes depending on one or no parameters, derived from the analysis of the works by Abel (1881), Liouville (1886) and Appell (1889), is also shown. Computer algebra routines were developed to solve ODEs members of these classes by solving their related equivalence problem. The resulting library permits a systematic solving of... Title of program: Extension to ODEtools package Catalogue Id: ADMB_v1_0 Nature of problem Analytical solving of Abel type first order ODEs having non-constant invariant. Versions of this program held in the CPC repository in Mendeley Data ADMB_v1_0; Extension to ODEtools package; 10.1016/S0010-4655(00)00042-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/43d2ppzz8t.1
title: AUTOX — A program for autoindexing reflections from multiphase polycrystals

description: Abstract The paper describes a correct mathematical formulation of the autoindexing problem, a method for its solution and a program implimenting the method for autoindexing experimental reflections. Its main features are the possibility of analyzing multiphase polycrystals, and efficient fit procedure and qualitative analysis of the sample symmetry. Title of program: AUTOX Catalogue Id: ADAS_v1_0 Nature of problem The program is intended to assign experimentally measured diffraction peaks from a multi-phase powder sample to corresponding Miller indices and to estimate parameters of lattices in this sample. Versions of this program held in the CPC repository in Mendeley Data ADAS_v1_0; AUTOX; 10.1016/0010-4655(94)00151-Q This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/9yhckznt8m.1
title: Hard diffractive scattering in high energy ep collisions and the Monte Carlo Generator RAPGAP

description: Abstract The program RAPGAP generates events in ep collisions where the electron is scattered on a pomeron P coupled to the proton p. A gap in rapidity between the fast moving proton and the remaining hadronic system is observed. The program is applicable to photoproduction (Q^2{reversed tilde equals} 0) as well as deep inelastic scattering (Q^2&gt; 0). Different types of hard interaction processes such as γ* q → q′ and γrg → q q ̄ for light and heavy quarks are included. Several options for the para... Title of program: RAPGAP version 1.0 Catalogue Id: ADAR_v1_0 Nature of problem Inelastic ep scattering is an ideal tool to study properties of a possible partonic (quark or gluon) nature of the pomeron. Partonic interactions of the photon with quarks and gluon coming from the pomeron are calculated. Such kind of events have a gap in energyflow between the fast moving proton and the rest of the hadronic system. Such events have been found recently in the experiments at the HERA collider [1,2]. Versions of this program held in the CPC repository in Mendeley Data ADAR_v1_0; RAPGAP version 1.0; 10.1016/0010-4655(94)00150-Z This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/yjv8y7x5t6.1
title: Foam: A general-purpose cellular Monte Carlo event generator

description: Abstract A general-purpose, self-adapting Monte Carlo (MC) event generator (simulator) Foam is described. The high efficiency of the MC, that is small maximum weight or variance of the MC weight is achieved by means of dividing the integration domain into small cells. The cells can be n-dimensional simplices, hyperrectangles or a Cartesian product of them. The grid of cells, called “foam”, is produced in the process of the binary split of the cells. The choice of the next cell to be divided and the po... Title of program: Foam++, version 2.05 Catalogue Id: ADMC_v3_0 [ADRG] Nature of problem Monte Carlo simulation or generation of unweighted (weight equal 1) events is a standard problem in many areas of research. It is highly desirable to have in the program library a general-purpose numerical tool (program) with a MC generation algorithm featuring built-in capability of adjusting automatically the generation procedure to an arbitrary pattern of singularities in the probability distribution. Our primary goal is simulation of the differential distribution in the multiparticle Lorentz ... Versions of this program held in the CPC repository in Mendeley Data admc_v1_0.tar; Foam, version 1.01; 10.1016/S0010-4655(00)00047-3 admc_v2_0.tar; FoamF77, version 2.05; 10.1016/S0010-4655(02)00755-5 admc_v3_0.tar; Foam++, version 2.05; 10.1016/S0010-4655(02)00755-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/zp6bgrd76t.1
title: Calculation of the nucleation and growth of defect clusters

description: Title of program: CLUSTER 78 Catalogue Id: ACUE_v1_0 Nature of problem The program calculates the probability of interaction of point defects, defect clusters and gas atoms using chemical rate reaction theory. The resulting set of differential equations is numerically integrated using a computer to give the number and size of the defect clusters as a function of irradiation time. The material is specified by listing certain constants and is applicable to elements and simple compounds. Versions of this program held in the CPC repository in Mendeley Data ACUE_v1_0; CLUSTER 78; 10.1016/0010-4655(79)90008-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/2npxz3ydvy.1
title: auto_deriv: Tool for automatic differentiation of a fortran code

description: Abstract auto_deriv is a module comprised of a set of fortran 90 procedures which can be used to calculate the first and second partial derivatives of any continuous function with many independent variables. The function should be expressed as one or more fortran 90 or fortran 77 procedures. A new type of variables is defined and the overloading mechanism of functions and operators provided by the fortran 90 language is extensively used to define the differentiation rules. Title of program: AUTO_DERIV Catalogue Id: ADLS_v1_0 Nature of problem Complicated analytical functions of many independent variables often appear in molecular simulations. Particularly, in Molecular Dynamics the first and occasionally the second partial derivatives of the potential function are required which AUTO_DERIV evaluates to machine precision. Versions of this program held in the CPC repository in Mendeley Data ADLS_v1_0; AUTO_DERIV; 10.1016/S0010-4655(99)00513-5 ADLS_v2_0; AUTO_DERIV; 10.1016/j.cpc.2010.06.043 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/6m67x8sm6x.1
title: Computation of confidence intervals for Poisson processes

description: Abstract We present an algorithm which allows a fast numerical computation of Feldman–Cousins confidence intervals for Poisson processes, even when the number of background events is relatively large. This algorithm incorporates an appropriate treatment of the singularities that arise as a consequence of the discreteness of the variable. Title of program: PCI Catalogue Id: ADMA_v1_0 Nature of problem Determination of confidence intervals for Poisson processes with background. Versions of this program held in the CPC repository in Mendeley Data ADMA_v1_0; PCI; 10.1016/S0010-4655(00)00035-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/6xxzbzxv65.1
title: A multi-configuration Hartree-Fock program

description: Title of program: MULTI-CONFIGURATION HARTREE-FOCK Catalogue Id: ACQJ_v1_0 Nature of Problem Numerical non-relativistic Hartree-Fock results are determined within the multi-configuration approximation for atoms in a bound state. Versions of this program held in the CPC repository in Mendeley Data ACQJ_v1_0; MULTI-CONFIGURATION HARTREE-FOCK; 10.1016/0010-4655(70)90002-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/954pm3cm7y.1
title: DVR3D: for the fully pointwise calculation of ro-vibrational spectra of triatomic molecules

description: Abstract The DVR3D program suite calculates energy levels, wavefunctions, and where appropriate dipole transition moments, for rotating and vibrating triatomic molecules. Potential energy, and where necessary, dipole surfaces must be provided. The programs use an exact (within the Born-Oppenheimer approximation) Hamiltonian, offer a choice of Jacobi or Radau internal coordinates and several body-fixed axes. Rotationally excited states are treated using an efficient two-step algorithm. The programs use... Title of program: ROTLEV3B Catalogue Id: ADAM_v1_0 Nature of problem ROTLEV3B performs the second step in a two-step variational calculation [1] for the bound ro-vibrational levels of a triatomic system represented symmetrised Radau coordinates using a bisector embedding [2]. Versions of this program held in the CPC repository in Mendeley Data adam_v1_0; ROTLEV3B; 10.1016/0010-4655(94)00139-S adam_v2_0; ROTLEV3B; 10.1016/j.cpc.2003.10.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/c7hz4mpskd.1
title: SCOT, a Monte Carlo generator to study the Lorentz structure of e+e−→Z→τ+τ−

description: Abstract Together with the vector and axial vector couplings, the general Lorentz structure of leptonic Z decays, (e^+ e^- →Z→τ^+ τ^- ), allows various additional types of interaction. In the present study a Monte Carlo generator, SCOT, is developed which simulates the general Lorentz structure of Z boson production and decay, and ultimately the τ decay. The program uses spin amplitudes to take the τ polarisation and the spin correlation into account and may be used for simulations at LEP and SLC. Title of program: SCOT VERSION 1.0 Catalogue Id: ACTJ_v1_0 Nature of problem Beyond the standard model Z boson production and decay allows a large number of additional coupling constants like weak magnetic and weak dipole moments. These can be studied by measuring the final spin density of e+e- -&gt; Z(gamma) -&gt; tau+tau-. Versions of this program held in the CPC repository in Mendeley Data ACTJ_v1_0; SCOT VERSION 1.0; 10.1016/0010-4655(94)90121-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/gdm63mc9mb.1
title: Spectral intensity, angular distribution and polarisation of synchrotron radiation from a monoenergetic electron

description: Title of program: SYNCHROTRON RADIATION Catalogue Id: ACQR_v1_0 Nature of problem The absolute power radiated by a relativistic electron travelling in a circular orbit in a synchrotron can be calculated theoretically. This program evaluates, for an electron of specified energy and orbit radius, the power radiated round the orbit (a) as a function of wavelength (i.e. spectral distributions), (b) as a function of the angle above or below the orbital plane at any particular wavelength. These angular distributions are given for the component polarised with E-vector in a plane par ... Versions of this program held in the CPC repository in Mendeley Data ACQR_v1_0; SYNCHROTRON RADIATION; 10.1016/0010-4655(70)90018-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/xzkvwp8tv2.1
title: A program for calculating relativistic elastic electron-atom collision data

description: Title of program: A SCAT Catalogue Id: ACQX_v1_0 Nature of problem The program calculates angular distributions (differential cross sections) and spin-polarization distributions of electrons scattered elastically by atomic targets within the framework of the static field approximation, by solving the radial Dirac equations. Versions of this program held in the CPC repository in Mendeley Data ACQX_v1_0; A SCAT; 10.1016/0010-4655(71)90050-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/2wxp5vxj2m.1
title: auto_deriv: Tool for automatic differentiation of a Fortran code

description: Abstract auto_deriv is a module comprised of a set of fortran 95 procedures which can be used to calculate the first and second partial derivatives (mixed or not) of any continuous function with many independent variables. The mathematical function should be expressed as one or more fortran 77/90/95 procedures. A new type of variables is defined and the overloading mechanism of functions and operators provided by the fortran 95 language is extensively used to define the differentiation rules. Proper (... Title of program: AUTO_DERIV Catalogue Id: ADLS_v2_0 Nature of problem The need to calculate accurate derivatives of a multivariate function frequently arises in computational physics and chemistry. The most versatile approach to evaluate them by a computer, automatically and to machine precision, is via user-defined types and operator overloading. AUTO_DERIV is a Fortran 95 implementation of them, designed to evaluate the first and second derivatives of a function of many variables. Versions of this program held in the CPC repository in Mendeley Data ADLS_v1_0; AUTO_DERIV; 10.1016/S0010-4655(99)00513-5 ADLS_v2_0; AUTO_DERIV; 10.1016/j.cpc.2010.06.043 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/5gydbtvr2z.1
title: An extended version of “ASYROT”

description: Abstract Program ASYROT, written by F.W. Birss and D.A. Ramsay for computer mainframes as an aid to high resolution spectral analysis of rotovibronic singlet-singlet transitions, has been modified to extend the applicability to larger molecules, and to adapt it for use on desktop DOS machines. The upper limits of quantum numbers J and K_ahave been increased from 100 and 50 to 144 and 100, respectively, to meet the requirements of high resolution affordable nowadays, and to simulate band contours of ... Title of program: Frasyrot Catalogue Id: ACPS_v1_0 Nature of problem To compute rotational transitions between two singlet states of any molecule and to perform fitting of experimental lines. Versions of this program held in the CPC repository in Mendeley Data ACPS_v1_0; Frasyrot; 10.1016/0010-4655(94)90194-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/nwxn8ckd2c.1
title: Nuclear bound state wave function subroutine

description: Title of program: BOUND Catalogue Id: ACQA_v1_0 Nature of problem The subroutine BOUND numerically integrates the radial Schrodinger equation including a central Woods-Saxon potential and spin-orbit coupling for the case of a particle bound in the nuclear and Coulomb force field of a core nucleus. An important use of the subroutine itself is to provide single particle wave functions required in direct nuclear reation calculations. Versions of this program held in the CPC repository in Mendeley Data ACQA_v1_0; BOUND; 10.1016/0010-4655(69)90018-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/rmb5p75p8n.1
title: Tilted irreducible representations of the permutation group

description: Abstract A fast algorithm to compute irreducible integer representations of the symmetric group is described. The representation is called tilted because the identity is not represented by a unit matrix, but a matrix β satisfying a reduced characteristic equation of the form (β - I)^k= 0. A distinctive feature of the approach is that the non-zero matrix elements are restricted to ±1. A so called natural representation is obtained by multiplying each representation matrix by β^(-1). Alternatively t... Title of program: TMRP Catalogue Id: ADBC_v1_0 Nature of problem Irreducible integer representations of the permutation group are computed. Versions of this program held in the CPC repository in Mendeley Data ADBC_v1_0; TMRP; 10.1016/0010-4655(95)00009-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/twtj86npnk.1
title: ION2 — Calculation of single ionisation total cross section using the continuum distorted-wave eikonal initial-state approximation

description: Abstract Two programs are presented, namely ION2A and ION2B, which calculate the total cross section for the ionisation of hydrogen-like targets by fully stripped projectile ions from within the continuum distorted-wave final-state, eikonal initial-state (CDWEIS) approximation (D.S.F. Crothers and J.F. McCann, J. Phys. B 16 (1983) 3229). ION2A calculates the total cross section within the wave treatment and ION2B within the impact parameter (ϱ) treatment. The impact parameter code tests the validity o... Title of program: ION2A - ION2B Catalogue Id: ADAT_v1_0 Nature of problem ION2A/B calculates total and differential cross sections for the ionisation of hydrogen-like atoms by the impact of multiply charged fully stripped projectile ions. Versions of this program held in the CPC repository in Mendeley Data ADAT_v1_0; ION2A - ION2B; 10.1016/0010-4655(94)00154-T This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/tx6pgdyff7.1
title: DVR3D: a program suite for the calculation of rotation–vibration spectra of triatomic molecules

description: Abstract The DVR3D program suite calculates energy levels, wavefunctions, and where appropriate dipole transition moments, for rotating and vibrating triatomic molecules. Potential energy and, where necessary, dipole surfaces must be provided. Expectation values of geometrically defined functions can be calculated, a feature which is particularly useful for fitting potential energy surfaces. The programs use an exact (within the Born–Oppenheimer approximation) Hamiltonian and offer a choice of Jacobi ... Title of program: ROTLEV3B Catalogue Id: ADAM_v2_0 [ADTD] Nature of problem ROTLEV3B performs the second step in a two-step variational calculation for the bound ro-vibrational levels of a triatomic system represented in symmetrised Radau coordinates using a bisector embedding [2]. Versions of this program held in the CPC repository in Mendeley Data adam_v1_0; ROTLEV3B; 10.1016/0010-4655(94)00139-S adam_v2_0; ROTLEV3B; 10.1016/j.cpc.2003.10.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/3mh69zf2ft.1
title: PARAMESH: A parallel adaptive mesh refinement community toolkit

description: Abstract In this paper we describe a community toolkit which is designed to provide parallel support with adaptive mesh capability for a large and important class of computational models, those using structured, logically Cartesian meshes. The package of Fortran 90 subroutines, called PARAMESH, is designed to provide an application developer with an easy route to extend an existing serial code which uses a logically Cartesian structured mesh into a parallel code with adaptive mesh refinement. Alternat... Title of program: PARAMESH Catalogue Id: ADLQ_v1_0 Nature of problem A common problem in gas dynamics and magnetohydrodynamic simulation is achieving the large dynamic range in spatial resolution which can be necessary to accurately model the active physical processes. These simulations also tend to require the largest computers, which inevitably implies the additional complexity of a parallel computing environment. Versions of this program held in the CPC repository in Mendeley Data ADLQ_v1_0; PARAMESH; 10.1016/S0010-4655(99)00501-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/f5zx2kh8ts.1
title: HIJING 1.0: A Monte Carlo program for parton and particle production in high energy hadronic and nuclear collisions

description: Abstract Based on QCD-inspired models for multiple jets production, we developed a Monte Carlo program to study jet and the associated particle production in high energy pp, pA and AA collisions. The physics behind the program which includes multiple minijet production, soft excitation, nuclear shadowing of parton distribution functions and jet interaction in dense matter is briefly discussed. A detailed description of the program and instructions on how to use it are given. Title of program: HIJING 1.0 Catalogue Id: ACVR_v1_0 Nature of problem In high-energy hadron and nuclear interactions, multiple minijet production becomes more and more important. Especially in relativistic heavy-ion collisions, minijets are expected to dominate transverse energy production in the central rapidity region. Particle production and correlation due to minijets must be investigated in order to recognize new physics of quark-gluon plasma formation. Due to the complication of soft interactions, minijet production can only be incorporated in a pQCD inspire ... Versions of this program held in the CPC repository in Mendeley Data ACVR_v1_0; HIJING 1.0; 10.1016/0010-4655(94)90057-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)