cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/rysr4d67hx.1
title: The Merlin control language for strategic optimization

description: Abstract Mcl is the programming language of the Merlin optimization environment. It can be used for the implementation of efficient optimization strategies, abolishing to a great extend the need for user intervention. The language is simple to learn and its structure is similar to Fortran. We report on successful applications where Mcl played an instrumental role, as for example in molecular physics problems and in the training of neural networks. Title of program: MCL-3.0 Catalogue Id: ABHA_v2_0 [ADHR] Nature of problem Complex optimization problems that cannot be solved efficiently via a single algorithm and they rather need to be tackled by a multi-algorithm strategy. Versions of this program held in the CPC repository in Mendeley Data ABHA_v1_0; MCL; 10.1016/0010-4655(89)90006-4 ABHA_v2_0; MCL-3.0; 10.1016/S0010-4655(98)00006-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/vjdv5hrxcx.1
title: A set of subroutines for simulation of electron-photon cascades

description: Title of program: EMCASR Catalogue Id: AAUV_v1_0 Nature of problem This set of subroutines can serve as a basis for Monte Carlo programs simulating electron-photon cascades. CORRECTION SUMMARY: Vol:Year:Page 0:unpublished:unpublished "000ACORRECTION 08/05/79" "Unpublished correction to a set of subroutines for simulation of electron-photon cascades." T. Stanev; Ch. Vankov Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AAUV_v1_0; EMCASR; 10.1016/0010-4655(79)90042-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/8y23ffpxj6.1
title: A package for the ab-initio calculation of one- and two-photon cross sections of two-electron atoms, using a CI B-splines method

description: Abstract A package is presented for the fully ab-initio calculation of one- and two-photon ionization cross sections for two-electron atomic systems (H^- , He, Mg, Ca,...) under strong laser fields, within lowest-order perturbation theory (LOPT) and in the dipole approximation. The atomic structure is obtained through configuration interaction (CI) of antisymmetrized two-electron states expanded in a B-spline finite basis. The formulation of the theory and the relevant codes presented here represent t... Title of program: BSPCI2E Catalogue Id: ADQV_v1_0 Nature of problem Ab-initio calculation of one- and two-photon ionization cross sections for two-electron atoms under strong laser fields, within lowest-order perturbation theory and in dipole approximation. Versions of this program held in the CPC repository in Mendeley Data ADQV_v1_0; BSPCI2E; 10.1016/S0010-4655(02)00684-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/cwvr27jr5w.1
title: tweezercalib 2.1: Faster version of MatLab package for precise calibration of optical tweezers

description: Title of program: tweezercalib Catalogue Id: ADTV_v2_1 Nature of problem Calibrate optical tweezers with precision by fitting theory to experimental power spectrum of position of bead doing Brownian motion in incompressible fluid, possibly near microscope cover slip, while trapped in optical tweezers. Thereby determine spring constant of optical trap and conversion factor for arbitrary-units-to-nanometers for detection system. Versions of this program held in the CPC repository in Mendeley Data ADTV_v1_0; tweezercalib; 10.1016/j.cpc.2004.02.012 ADTV_v2_0; tweezercalib; 10.1016/j.cpc.2005.11.007 ADTV_v2_1; tweezercalib; 10.1016/j.cpc.2006.07.009 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/dr643dv46b.1
title: PHOTUC: Oscillator strenghts and photoionization cross sections from close coupling wave functions

description: Title of program: PHOTUC Catalogue Id: AAXB_v1_0 Nature of problem Close coupling wave functions for bound and free states of atomic ions are used to calculate radiative transition probabilities. Versions of this program held in the CPC repository in Mendeley Data AAXB_v1_0; PHOTUC; 10.1016/0010-4655(87)90039-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/hmf8p8fk46.1
title: Scalable and portable implementation of the fast multipole method on parallel computers

description: Abstract A scalable and portable Fortran code is developed to calculate Coulomb interaction potentials of charged particles on parallel computers, based on the fast multipole method. The code has a unique feature to calculate microscopic stress tensors due to the Coulomb interactions, which is useful in constant-pressure simulations and local stress analyses. The code is applicable to various boundary conditions, including periodic boundary conditions in two and three dimensions, corresponding to slab... Title of program: FMMP Catalogue Id: ADRX_v1_0 Nature of problem Parallel computations of Coulomb potentials, forces, and stress tensors for a collection of charged particles. Versions of this program held in the CPC repository in Mendeley Data ADRX_v1_0; FMMP; 10.1016/S0010-4655(03)00246-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/jjkrsvhh5v.1
title: FRETsg: Biomolecular structure model building from multiple FRET experiments

description: Abstract Fluorescence energy transfer (FRET) experiments of site-specifically labelled proteins allow one to determine distances between residues at the single molecule level, which provide information on the three-dimensional structural dynamics of the biomolecule. To systematically extract this information from the experimental data, we describe a program that generates an ensemble of configurations of residues in space that agree with the experimental distances between these positions. Furthermore,... Title of program: FRETsg Catalogue Id: ADTU_v1_0 Nature of problem Given an arbitrary number of distances distributions between an arbitrary number of points in three-dimensional space, find all configurations (set of coordinates) that obey the given distances. Versions of this program held in the CPC repository in Mendeley Data ADTU_v1_0; FRETsg; 10.1016/j.cpc.2004.02.001 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/r794wdh8jx.1
title: Identification of nuclear reactions registered in ionographic detectors

description: Title of program: JOTOV Catalogue Id: ABKF_v1_0 Nature of problem A nuclear reaction appears in a ionographic detector as an interaction star whose geometry can be accurately measured. Identity and energy of incoming beam are known but identity of target and emergent prongs are not. Once a target has been assumed and a charge and mass number hypothesis (Z,A) has been made for each prong, the complete kinematics of the reaction can be established. All possible hypotheses are examined under the requirements of conservation of momentum and total energy. Versions of this program held in the CPC repository in Mendeley Data ABKF_v1_0; JOTOV; 10.1016/0010-4655(76)90060-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/sch9ck3jzf.1
title: A shift-register sequence random number generator implemented on the microcomputers with 8088/8086 and 8087

description: Abstract A shift-register sequence random number generator is programmed in Intel 8088/8086 and 8087 assembly language. Its performance is good in terms of its speed, long period and consistently producing reliable in extensive statistical tests. This generator may promote the microcomputers with 8088/8086 and 8087 to become a workstation for developing programs for Monte Carlo simulations of lattice field theories. Title of program: TRCG Catalogue Id: AAXI_v1_0 Nature of problem The subroutines generate a sequence of uniformly distributed real and integer pseudo random numbers with the maximum period of 2**250 - 1. They can be used in Monte Carlo simulations of many different physical problems. Versions of this program held in the CPC repository in Mendeley Data AAXI_v1_0; TRCG; 10.1016/0010-4655(87)90072-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/2gc7xvc38d.1
title: New heuristic approach to the calculation of general recoupling coefficients

description: Abstract General angular momentum recoupling coefficients can be expressed as a summation formula over products of 6-j coefficients. Yutsis, Levinson and Vanagas developed graphical techniques for representing the general recoupling coefficient as a cubic graph and they describe a set of reduction rules on such a graph which allow a stepwise generation of the corresponding summation formula. In this paper we present a new heuristic approach to earlier reduction algorithms based on these techniques. In... Title of program: CycleCostAlgorithm, GYutsis Catalogue Id: ADRM_v1_0 Nature of problem A general recoupling coefficient for an arbitrary number of (integer or half-integer) angular momenta can be expressed as a formula consisting of products of 6-j coefficients summed over a certain number of variables. Such a formula can be generated using the program GYutsis (with a graphical user front end) or CycleCostAlgorithm (with a text-mode user front end). Versions of this program held in the CPC repository in Mendeley Data ADRM_v1_0; CycleCostAlgorithm, GYutsis; 10.1016/S0010-4655(02)00733-6 ADRM_v2_0; GYutsis: VAN DYCK, FACK; 10.1016/S0010-4655(03)00280-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/474w5brcrt.1
title: II. Reduced SU(3) matrix elements

description: Title of program: REDUCED SU(3) MATRIX ELEMENTS Catalogue Id: ABKH_v1_0 Nature of problem Reduced SU(3) matrix elements (RME) are calculated for a general one or two body tensor operator, between arbitrary shell model states in an SU(3) * SU(4) or SU(3) * SU(2) scheme. Matrix elements in the angular momentum scheme can then be obtained by multiplying these RME with the appropriate SU(3)=R(3) coupling coefficients available through the code of program SU3 WIGNER and RACAH coefficients, catalogue number, ACRM. Versions of this program held in the CPC repository in Mendeley Data ABKH_v1_0; REDUCED SU(3) MATRIX ELEMENTS; 10.1016/0010-4655(78)90096-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/4t3c85wfmy.1
title: A spectrum data processing system

description: Title of program: MONIT Catalogue Id: AARV_v1_0 Nature of problem This paper presents a program system intended for the collection and processing of spectrum data. The programs have been developed to be used with a mini-computer connected on-line to a spectrometer. The prime goal of the work has been to produce a user oriented system which could also be used by people unfamiliar with computer programming. With this system, data can be obtained and stored on disc files and easy magnetic tape back-up can be done. Furthermore, various types of spectrum manipulati ... Versions of this program held in the CPC repository in Mendeley Data AARV_v1_0; MONIT; 10.1016/0010-4655(82)90078-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/6bh58xk75t.1
title: Tetrahedral finite element matrix primitives

description: Title of program: TETRAHEDRAL MATRIX PRIMITIVES Catalogue Id: AARB_v1_0 Nature of problem TETRAHEDRAL MATRIX PRIMITIVES is a subroutine package for constructing finite element representations of arbitrary linear second-order differential operators. Finite element matrices for any such operator may be constructed from three matrix primitives. The results are of use in three-dimensional potential and flow problems, electromagnetics of plasmas, diffusion problems, and elsewhere. Versions of this program held in the CPC repository in Mendeley Data AARB_v1_0; TETRAHEDRAL MATRIX PRIMITIVES; 10.1016/0010-4655(81)90090-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/fv7z8fxg25.1
title: A library for computing the filtered and non-filtered 3D Green's tensor associated with infinite homogeneous space and surfaces

description: Abstract We describe a library to compute various types of Green's tensor for three-dimensional electromagnetic scattering calculations. This library includes the retarded and non-retarded (quasi-static) Green's tensors for infinite homogeneous space and the non-retarded Green's tensor associated with a surface. Both standard and filtered Green's tensor can be computed. Filtered Green's tensor can be used to accurately investigate high permittivity scatterers with the coupled-dipole approximation. ... Title of program: LIBG3D Catalogue Id: ADPS_v1_0 Nature of problem Computation of the Green's tensor G(r,r'), i.e. of the field radiated at the observation point r by three orthogonal source dipoles located at r'. This dyadic is computed both for free space and for a surface in the quasi-static limit. Further, the so-called filtered Green's tensor, which increases the application range of the coupled-dipole approximation to higher permittivity scatterers can also be computed [1]. Versions of this program held in the CPC repository in Mendeley Data ADPS_v1_0; LIBG3D; 10.1016/S0010-4655(01)00471-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/gcngf78g8p.1
title: A programming package for the study of high angle grain boundaries by using TEM

description: Title of program: GB1, GB2, GB3 Catalogue Id: AAOS_v1_0 Nature of problem The study of grain boundaries by means of TEM requires first the characterization of the bicrystal, that is, the determination of the rotation relationship between the two crystals, and second the identification of the grain boundary, that is, the CSL which can be attributed to this rotation relationship. The theoretical and the experimental methods which should follow for such a study have already been published. Versions of this program held in the CPC repository in Mendeley Data AAOS_v1_0; GB1, GB2, GB3; 10.1016/0010-4655(83)90046-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/h6cpjdskkx.1
title: Computation of Casimir operator eigenvalues

description: Title of program: CASEIG Catalogue Id: AARX_v1_0 Nature of problem The purpose of CASEIG is to compute the eigenvalues of Casimir operators of arbitrary order for unitary unimodular, orthogonal and sympletic groups. Versions of this program held in the CPC repository in Mendeley Data AARX_v1_0; CASEIG; 10.1016/0010-4655(83)90044-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/v95jwxc9g7.1
title: Born total ionisation cross sections: An algebraic computing program using Maple

description: Abstract The software described in this paper uses the Maple algebraic computing environment to calculate an analytic form for the matrix element of the plane-wave Born approximation of the electron-impact ionisation of an atomic orbital, with arbitrary orbital and angular momentum quantum numbers. The atomic orbitals are approximated by Hartree–Fock Slater functions, and the ejected electron is modelled by a hydrogenic Coulomb wave, made orthogonal to all occupied orbitals of the target atom. Clensha... Title of program: BIX Catalogue Id: ADRZ_v1_0 Nature of problem Calculates the total electron impact ionisation cross-section for neutral and ionised atomic species using the first-Born approximation. The scattered electron is modelled by a plane wave, and the ejected electron is modelled by a hydrogenic Coulomb wave, which is made orthogonal to all occupied atomic orbitals, and the atomic orbitals are approximated by Hartree-Fock Slater functions. Versions of this program held in the CPC repository in Mendeley Data ADRZ_v1_0; BIX; 10.1016/S0010-4655(03)00286-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/xffg4tm4y7.1
title: Hevol: A Monte Carlo program to calculate the evolution of structure functions with the inclusion of heavy quark effects

description: Title of program: HEVOL Catalogue Id: AAVH_v1_0 Nature of problem Calculation of QCD evolution of structure functions including the effects of heavy quark production, with the immediate aim of determining relevant QCD parameters by least-square fits to experimental data. Versions of this program held in the CPC repository in Mendeley Data AAVH_v1_0; HEVOL; 10.1016/0010-4655(82)90021-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/2z5z3nwgch.1
title: Microscopic inelastic form factors for heavy-ion reactions

description: Abstract Inelastic form factors for one-step reactions are computed with a microscopic force comprising both central and tensor forces for calculating cross sections of heavy-ion reactions. A second quantization formalism is applied and one-body transition densities between initial and final wave functions are exposed. Title of program: GARDEL Catalogue Id: ABJE_v1_0 Nature of problem Inelastic form factors for one-step reactions are computed with a microscopic force comprising both central and tensor forces for calculating cross sections of heavy-ion reactions. Versions of this program held in the CPC repository in Mendeley Data ABJE_v1_0; GARDEL; 10.1016/0010-4655(89)90078-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/6k8pxg46dy.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: XPECT3 Catalogue Id: ADTH_v1_0 Nature of problem XPECT3 calculates expectation of geometrically defined operators using previously calculated wavefunctions. Versions of this program held in the CPC repository in Mendeley Data ADTH_v1_0; XPECT3; 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: 10.17632/7srvtg5dr3.1
title: Automatic computation of Bessel function integrals

description: Title of program: HANKEL Catalogue Id: AART_v1_0 Nature of problem Integrals over an infinite interval, involving Bessel functions, occur in many physical applications, especially as Hankel transforms in the solution of certain mixed boundary value problems. In many cases, these integrals cannot be computed analytically and must be evaluated numerically. Versions of this program held in the CPC repository in Mendeley Data AART_v1_0; HANKEL; 10.1016/0010-4655(82)90024-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/7v7wtxwsvn.1
title: Loops: Procedures for multiloop calculations in quantum field theory for the reduce system

description: Abstract We present a REDUCE package for analitical computation of arbitrary massless, one- and two-loop Feynman diagrams of the propagator type within dimensional regularization. The package calculates Laurent expansions of diagrams in the parameter of dimensional regularization. Title of program: LOOPS Catalogue Id: ABJO_v1_0 Nature of problem Dimensionally regularized multiloop massless Feynman integrals of a propagator type (so called p-integrals), usually appearing in the tasks of the quantum field theory, in particular, high energy physics calculations are computed analytically here. Versions of this program held in the CPC repository in Mendeley Data ABJO_v1_0; LOOPS; 10.1016/0010-4655(89)90077-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/9khfkxbgcd.1
title: Measurement and three dimensional reconstruction of particle tracks in emulsion chambers

description: Abstract A software package for making fast and accurate measurements of particle tracks in emulsion chambers is described. In a chamber, which is designed for high particle multiplicities, the emulsion layers are interspersed with air and placed perpendicular to the beam direction during exposure. Title of program: MENU-EMU, VERSION LUND/10/88 Catalogue Id: ABJI_v1_0 Nature of problem In high energy nucleus-nucleus collisions the particle production is very high and the emission angles are small. It is therefore difficult to make accurate measurements of all the emission angles with the conventional emulsion techiques. We have designed a special emulsion technique, for fast mesurements, using emulsion layers placed perpendicular to the beam direction during exposure. This technique needs a special designed measuring station combined with new computer programs. Versions of this program held in the CPC repository in Mendeley Data ABJI_v1_0; MENU-EMU, VERSION LUND/10/88; 10.1016/0010-4655(89)90068-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/c35hchxm8n.1
title: PROVA, a program for the calculation of X-ray powder spectra (ordered and disordered structures)

description: Title of program: PROVA Catalogue Id: AASE_v1_0 Nature of problem PROVA calculates the X-ray intensity diffracted from powders constituted by generic domains, whatever the dimensions of each domain along the three crystallographic axes, possibly disordered, having unit cells belonging to any crystal system. Versions of this program held in the CPC repository in Mendeley Data AASE_v1_0; PROVA; 10.1016/0010-4655(82)90006-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/fjg9xz9w3m.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: DVR3D Catalogue Id: ADTI_v1_0 Nature of problem DVR3D calculates the bound vibrational or Coriolis decoupled ro-vibrational states of a triatomic system in body-fixed Jacobi (scattering) or Radau coordinates [1,2]. Versions of this program held in the CPC repository in Mendeley Data ADTI_v1_0; DVR3D; 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)