cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/bm3r95b8hk.1
title: Synchrotron radiation flux at experimental stations

description: Abstract A FORTRAN 77 program is described that will estimate the flux and polarisation available to synchrotron radiation users whose experimental stations receive the direct synchrotron emission. The radiation pattern is integrated over the finite aperture of the entrance pupil of the apparatus, assumed rectangular and centred axially on the emission cone. Allowance is made for the finite source size and the angular spread of source trajectories on the assumption that the bending field is uniform. U... Title of program: SYNCHR88 Catalogue Id: ABJB_v1_0 Nature of problem Evaluation of the synchrotron radiation power spectrum integrated over the finite aperture constituting the entrance slit of an experimental station. Percentage of polarisation calculation. Versions of this program held in the CPC repository in Mendeley Data ABJB_v1_0; SYNCHR88; 10.1016/0010-4655(89)90093-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/n8ks5n6g43.1
title: GTOBAS: fitting continuum functions with Gaussian-type orbitals

description: Abstract GTOBAS is a program for fitting Gaussian-type orbitals (GTOs) to Bessel and Coulomb functions over a finite range. The exponents of the GTOs are optimized using the method of Nestmann and Peyerimhoff [J. Phys. B 23 (1990) L773]. The appended module NUMCBAS provides the numerical Bessel and Coulomb functions required as input for the program. The use of GTO continuum basis sets is particularly important in electron–molecule scattering calculations when polyatomic targets are involved. Sample r... Title of program: GTOBAS Catalogue Id: ADPV_v1_0.tar Nature of problem Optimising GTO basis sets to represent continuum functions. Versions of this program held in the CPC repository in Mendeley Data adpv_v1_0.tar; GTOBAS; 10.1016/S0010-4655(02)00141-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/t4fprfyrsr.1
title: Evaluation of Hamiltonian two-body matrix elements

description: Abstract The purpose of this program is to generate the two-body Hamiltonian for a particle-particle interaction comprising central, spin-orbit and tensor components. Coulomb forces can also be computed. The Hamiltonian matrix elements are expressed and evaluated in terms of Talmi integrals. Title of program: TBINT Catalogue Id: ABJF_v1_0 Nature of problem The Hamiltonian matrix is needed in a wide variety of physical problems. It consists in one-body and two-body parts. As starting points, the one-body Hamiltonian may be obtained from experimental data while the two-body residual interaction from a theoretical framework. The purpose of this program is to generate the two-body Hamiltonian for a particle- particle interaction comprising central, spin-orbit and tensor components for use in Nuclear Physics studies. Versions of this program held in the CPC repository in Mendeley Data ABJF_v1_0; TBINT; 10.1016/0010-4655(89)90079-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/wddmcbnwmz.1
title: gTybalt—a free computer algebra system

description: Abstract This article documents the free computer algebra system "gTybalt". The program is build on top of other packages, among others GiNaC, TeXmacs and Root. It offers the possibility of interactive symbolic calculations within the C++ programming language. Mathematical formulae are visualized using T_E X fonts. Title of program: gTybalt1.0.0 Catalogue Id: ADSI_v1_0 Nature of problem Symbolic calculations occur nowadays in all areas of science. gTybalt is a free computer algebra system based on the C++ language. Versions of this program held in the CPC repository in Mendeley Data ADSI_v1_0; gTybalt1.0.0; 10.1016/S0010-4655(03)00468-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/z6vxbm3gkr.1
title: Low temperature Grüneisen parameter of cubic ionic crystals

description: Abstract Title of program: CAROLINA Catalogue number: AATG Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: IBM/370, Model 158; Installation: Centro de Tecnología y Ciencia de Sistemas, Universidad de Buenos Aires Operating system: VM/370 Programming language used: FORTRAN High speed storage required: 3 kwords No. of bits in a word: 32 Peripherals used: disk IBM 3340/70 MB No. of lines in combined program and test de... Title of program: CAROLINA Catalogue Id: AATG_v1_0 Nature of problem This program calculates the Gruneisen parameter for cubic crystals at low temperatures, gamma el 0. Versions of this program held in the CPC repository in Mendeley Data AATG_v1_0; CAROLINA; 10.1016/0010-4655(87)90057-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/zn5m38bh55.1
title: Rapidity generator for Monte-Carlo calculations of cylindrical phase space

description: Title of program: GENRAP Catalogue Id: AAUO_v1_0 Nature of problem Analysis of high energy collisions of hadrons in the framework of many theoretical models needs numerical evaluation of multidimensional integrals over Lorentz invariant phase space. In practice, the only method of evaluating them exactly is the Monte-Carlo method. However, if we use methods of random generation of points in the phase space known up to now, the time of evaluation of these integrals increases not only with the number of particles, but also very rapidly with energy and the Monte-C ... Versions of this program held in the CPC repository in Mendeley Data AAUO_v1_0; GENRAP; 10.1016/0010-4655(75)90081-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/2wyks5pcpj.1
title: GR@PPA_4b: A four bottom quark production event generator for pp/p p ̄ collisions

description: Abstract We have developed an event generator, named GR@PPA_4b, for the four bottom quark (b b ̄ b b ̄ ) production processes at pp and p p ̄ collisions. The program implements all of the possible processes at the tree level within the framework of the Standard Model. Users can g... Title of program: GR@PPA_4b (v1.0) Catalogue Id: ADRH_v1_0 Nature of problem Four bottom-quark production is an important channel for the study of Higgs-boson properties at future high energy hadron-collider experiments. However, the detectability is very ambiguous because only crude estimates based on many approximations have been available for background processes. Versions of this program held in the CPC repository in Mendeley Data ADRH_v1_0; GR@PPA_4b (v1.0); 10.1016/S0010-4655(02)00793-2 ADRH_v2_0; GR@PPA (v2.7); 10.1016/j.cpc.2006.07.011 ADRH_v3_0; GR@PPA 2.8; 10.1016/j.cpc.2011.12.023 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/6v8ggwt3c6.1
title: Analytic angular momentum coupling coefficient calculators ☆

description: Abstract We describe a Java implementation of a suite of programs to calculate analytically Clebsch–Gordan coefficients, and 3j, 6j and 9j symbols used in the quantum theory of angular momentum. Title of program: Cleblet Catalogue Id: ADQG_v1_0 Nature of problem Problems involving the quantum mechanical theory of angular momentum often involve the use of angular momentum coupling coefficients, which the presented code evaluates. Versions of this program held in the CPC repository in Mendeley Data ADQG_v1_0; Cleblet; 10.1016/S0010-4655(02)00462-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/7ntt7mp8vn.1
title: Soliton bag model

description: Title of program: BAG Catalogue Id: AALD_v1_0 Nature of problem The soliton bag model for QCD is a covariant field theory described by a complete Hamiltonian. The model is sufficiently general to describe either the MIT or SLAC bags by suitable limits of the parameters which determine the soliton field. Mathematically, the model consists of a nonlinear second order ordinary differential equation coupled with an eigenvalue problem for a coupled system of linear first order ordinary differential equations. The physical quantities calculated from the solutions ... Versions of this program held in the CPC repository in Mendeley Data AALD_v1_0; BAG; 10.1016/0010-4655(86)90235-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/8y8zz38dhz.1
title: Intermediate coupling collision strengths from LS coupled R-matrix elements

description: Title of program: LSTOIC Catalogue Id: AAKY_v1_0 Nature of problem Fine structure collision strengths for transitions between two groups of states in intermediate coupling and with inclusion of configuration mixing are obtained from LS coupled reactance matrix elements (R-matrix elements) and a set of mixing coefficients. Versions of this program held in the CPC repository in Mendeley Data AAKY_v1_0; LSTOIC; 10.1016/0010-4655(78)90115-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/96tgzs7nh7.1
title: MFFT: A package for two- and three-dimensional vectorized discrete fourier transforms

description: Title of program: MFFT Catalogue Id: AALL_v1_0 Nature of problem Any problem requiring Fourier transforms. ADAPTATION SUMMARY: Vol:Year:Page 48:1988:313 "0001 MFFT4" "MFFT4: four dimensional vectorized fast Fourier transforms." A. Nobile; V. Roberto; F. Saitta Note: adaptation instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AALL_v1_0; MFFT; 10.1016/0010-4655(86)90039-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/chzh426rcn.1
title: Gilat — Raubenheimer method for k - space integration

description: Title of program: GRINT Catalogue Id: AAPC_v1_0 Nature of problem Integrals over k-space which include a Dirac delta-function may be calculated by this subroutine GRINT. The procedure represents the results (density of states, optical spectra, phonon spectra and other distribution functions) by means of a one-dimensional array DSF. Versions of this program held in the CPC repository in Mendeley Data AAPC_v1_0; GRINT; 10.1016/0010-4655(80)90015-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/cjjt73wtp9.1
title: Calculation of crystal orientations using laue patterns

description: Title of program: COL Catalogue Id: AAQF_v1_0 Nature of problem The program evaluates the orientation of single crystals numerically. Versions of this program held in the CPC repository in Mendeley Data AAQF_v1_0; COL; 10.1016/0010-4655(79)90118-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/jbpzxw3z7z.1
title: Recognition and analysis of local structure in polycrystalline configurations

description: Abstract A method is described for obtaining information about the local order existing in monoatomic model solids or real materials based on their atomistic configurations. An efficient algorithmic implementation is provided. The shape of the polyhedra formed by ‘relevant’ neighbors of each atom enter a pattern recognition method to resolve the type of the (usually non-ideal) crystal structure to which atoms surrounded by their relevant neighbors belong: hexagonal close-packed, face-centered cubic or... Title of program: RLSCODE Catalogue Id: ADPZ_v1_0 Nature of problem The nature of the problem is to provide a quantitative measure for the local order in non-ideal crystalline configurations. This measure will be necessarily heuristic in nature and not unique. Configurations are specified by collection of particle position in 3D. The program should return the type of local structure (face centered cubic, etc.) for each atom of the system. Versions of this program held in the CPC repository in Mendeley Data ADPZ_v1_0; RLSCODE; 10.1016/S0010-4655(02)00265-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/jr3n94n2t4.1
title: Data base of cross sections and reaction rates for hydrogen ion sources

description: Abstract Many laboratories are building and operating hydrogen ion sources that generate intense beams, some with the requirement of low emittance. To optimize the design of these sources, several groups have embarked on writing computer models. All models require reaction rates among the numerous constituent species of the hydrogen plasma. HIONDAT is a suite of programs to create, update and use a data base of such reaction rates. Title of program: HIONDAT Catalogue Id: ABHF_v1_0 Nature of problem HIONDAT is a suite of programs to create, update, and use a permanent data base containing information relating to the cross sections and rate coefficients of chemical reactions in plasmas generated in hydrogen ion sources. In view of the lack of knowledge of cross sections at energies of interest for almost all processes thought to be important, it is necessary to distinguish here those cross sections that are known (by giving their source reference) from those that are conjectured, but that ar ... Versions of this program held in the CPC repository in Mendeley Data ABHF_v1_0; HIONDAT; 10.1016/0010-4655(89)90099-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/rkpdp5tn68.1
title: Calculations of generalized harmonic oscillator brackets

description: Title of program: TAMOBR Catalogue Id: ABGR_v1_0 Nature of problem The generalized harmonic oscillator brackets form the transformation matrix for the transition from the single-particle coordinates to the centre of mass and relative coordinates in a two-particle harmonic oscillator basis. Unequal masses of particles are considered. Versions of this program held in the CPC repository in Mendeley Data ABGR_v1_0; TAMOBR; 10.1016/0010-4655(79)90043-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/vff34nh6mp.1
title: Polyatomic surface fitting, vibrational-rotational analysis, expectation value and intensity program

description: Abstract A computer program, SURVIBTM, has been developed for fitting multi-dimensional potential energy and property surfaces and calculating vibrational-rotational spectra of symmetric and asymmetric top polyatomic molecules. Given surfaces in the form of internal coordinates and energy or property points, the program performs seven main types of calculations. These include determining equilibrium and saddle point geometries, internal coordinate force fields, normal mode eigensolutions, normal coord... Title of program: SURVIBTM Catalogue Id: ABDZ_v1_0 Nature of problem The Assignment of specific bands and other spectral information for polyatomic molecules is a continuing problem. Theoretical vibrational- rotational analysis is needed to aid in the identification and explanation of many measured spectra. In addition, many molecules not currently amenable to spectroscopic analysis may be studied using ab initio potential energy surfaces. There have been significant advances in the studies of molecular potential energy and property surfaces in recent years. A si ... Versions of this program held in the CPC repository in Mendeley Data ABDZ_v1_0; SURVIBTM; 10.1016/0010-4655(88)90076-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/xmxbnk63sy.1
title: L1PMA: A Fortran 77 package for best L 1 piecewise monotonic data smoothing

description: Abstract Fortran 77 software is presented for the calculation of a best L_1approximation to n measurements that include random errors by requiring k-1 sign changes in the first divided differences of the approximation or equivalently k monotonic sections, alternately increasing and decreasing. A dynamic programming algorithm separates the measurements into optimal disjoint sections of adjacent data and applies to each section a single L_1monotonic calculation. The most distinctive feature of the a... Title of program: L1PMA Catalogue Id: ADRF_v1_0 Nature of problem Univariate measurements of an unknown function that contains random errors. Identifying turning points (peakfinding) of a univariate function from noisy measurements of its values. Versions of this program held in the CPC repository in Mendeley Data ADRF_v1_0; L1PMA; 10.1016/S0010-4655(02)00739-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/zhzbts26p5.1
title: A-Three: A general optical model code especially suited to heavy-ion calculations

description: Title of program: A-THREE Catalogue Id: ABII_v1_0 Nature of problem The non-relativistic radial Schrodinger equation with complex potential is solved partial wave by partial wave to obtain phase shifts, from which total (reaction) cross sections, elastic scattering angular distributions and polarization angular distributions are obtained. Optionally, radial wave functions may be retained. The complex optical potential may take a large number of forms and may, as well, have the parts of the potential read in (from other calculations) or calculated by user supplie ... Versions of this program held in the CPC repository in Mendeley Data ABII_v1_0; A-THREE; 10.1016/0010-4655(78)90091-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/9cystjschv.1
title: FORTRAN code for the three-dimensional Ising model on bcc and fcc lattices

description: Abstract In order to test universality, the three-dimensional Ising model with the microcanonical method with demons is formulated on the bcc and fcc lattices. Title of program: BCC64 Catalogue Id: ABFY_v1_0 Nature of problem Universality is the principle whereby the important physical parameters associated with the ferromagnetic phase transition in the three- dimensional Ising model, e.g., the critical exponents, are independent of the regular cubic lattice used for the calculations. We wish to establish universality for the three-dimensional Ising model. Versions of this program held in the CPC repository in Mendeley Data abfy_v1_0; BCC64; 10.1016/0010-4655(89)90008-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/brvvj3jmjr.1
title: A program to calculate complex phase shifts and mixing parameters of elastic scattering of spin 1 2 particles on spin 1 2 targets

description: Title of program: PHASESHIFT ANALYSIS Catalogue Id: ABGB_v1_0 Nature of problem For elastic scattering the differential cross section and the polarization are determined by the elements of the S-matrix. The S- matrix can be parametrized in terms of complex phases. Generally the complex phases are slowly varying functions of energy. Only when near resonances will the phases, corresponding to the spin and parity of the special resonance, show specific anomalies, which sometimes allow the determination of spin and parity of the resonance. Versions of this program held in the CPC repository in Mendeley Data ABGB_v1_0; PHASESHIFT ANALYSIS; 10.1016/0010-4655(71)90056-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/czvtvrc66b.1
title: Nuclear decay scheme construction based on qualitative coincidences

description: Title of program: SMUDLA Catalogue Id: AAPB_v1_0 Nature of problem The program constructs possible variants of nuclear decay schemes from the knowledge of experimentally determined gamma transitions and their coincidences. Versions of this program held in the CPC repository in Mendeley Data AAPB_v1_0; SMUDLA; 10.1016/0010-4655(80)90050-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/d5776y76b6.1
title: The Monte Carlo event generator AcerMC versions 2.0 to 3.8 with interfaces to PYTHIA 6.4, HERWIG 6.5 and ARIADNE 4.1

description: Abstract The AcerMC Monte Carlo generator is dedicated to the generation of Standard Model background processes which were recognised as critical for the searches at LHC, and generation of which was either unavailable or not straightforward so far. The program itself provides a library of the massive matrix elements (coded by MADGRAPH) and native phase space modules for generation of a set of selected processes. The hard process event can be completed by the initial and the final state radiation, hadr... Title of program: AcerMC version 3.8 Catalogue Id: ADQQ_v2_0 Nature of problem Despite a large repertoire of processes implemented for generation in event generators like PYTHIA [1] or HERWIG [2] a number of background processes, crucial for studying the expected physics of the LHC experiments, is missing. For some of these processes the matrix element expressions are rather lengthly and/or to achieve a reasonable generation efficiency it is necessary to tailor the phasespace selection procedure to the dynamics of the process. That is why it is not practical to imagine tha ... Versions of this program held in the CPC repository in Mendeley Data ADQQ_v1_0; AcerMC version 1.0; 10.1016/S0010-4655(02)00592-1 ADQQ_v2_0; AcerMC version 3.8; 10.1016/j.cpc.2012.10.032 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/mmhdgvwbn4.1
title: II. A Fortran program for calculating degenerate Raman bands of spherical tops with an adaptation for infrared bands

description: Abstract Title of program: FORTRAN VIBROT II Catalogue number: AAGG Program available from: CPC Program Library, Queen's University of Belfast, Northern Ireland (see application form in this issue) Computer for which the program is designed and others upon which it is operable Computer: IBM 1130. Installation: Knoxville College, Knoxville, Tennessee, USA Operating system or monitor under which the program is executed: OS 1130 Programming languages used: FORTRAN IV High speed store required: 4000 words... Title of program: FORTRAN VIBROT II Catalogue Id: AAGE_v2_0 [AAGG] Nature of problem This program solves the same physical problem as program VIBROT II (CPC 1 (1971) 87. The orginal program has been translated into Fortran IV from Algol. The logic, the test data and the output format are all virtually the same. ADAPTATION SUMMARY: Vol:Year:Page 2:1971:299 "0001 VIBROT II FOR INFRARED" "II. A FORTRAN program for calculating degenerate Raman bands of spherical tops with an adaptation for infrared bands." F.N. Masri; I.R. Williams Note: adaptation instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AAGE_v2_0; FORTRAN VIBROT II; 10.1016/0010-4655(71)90006-3 AAGE_v1_0; VIBROT II; 10.1016/0010-4655(71)90018-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)