cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/rj47mgmy53.1
title: A program for perspective views of three-dimensional surfaces

description: Title of program: TDPLOT3 Catalogue Id: ABVL_v1_0 Nature of problem TDPLOT3 constructs either monoptic or stereoptic perspective projectionsof three-dimensional surfaces described in spherical-polar or cylindrical coordinates. CORRECTION SUMMARY: Vol:Year:Page 23:1981:221 "000A CORRECTION 07/04/81" "A program for perspective views of three-dimensional surfaces. (C.P. C. 21(1980)185)." E.A. Olszewski; W.J. Thompson Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ABVL_v1_0; TDPLOT3; 10.1016/0010-4655(80)90039-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/sxbppbyxmy.1
title: Green function for crystal surfaces I

description: Abstract The described computer code allows to calculate the surface Green function (SGF) of a semi-infinite solid with two-dimensional translational symmetry, using the layer Korringa-Kohn-Rostoker (KKR) approach within the muffin-tin approximation. The crystal is composed from planar or rumpled atomic layers, i.e., the atomic positions within the layer unit cell at the surface may differ from their ideal (bulk) values. The system may be divided into four regions of commensurable, two-dimensional lat... Title of program: fhi93g0 Catalogue Id: AADF_v4_0 [ADAE] Nature of problem The computer code (as that of papers I (AADF) and II (AAXZ)) allows to calculate the Green function (GF) for the one-electron hamiltonian of a semi-infinite solid with two-dimensional translational symmetry parallel to the surface, within any given range of energy E. Thus, this surface Green function (SGF) satisifies the Bloch-type periodic boundary conditions parallel to the surface, for a given value of the Bloch vector k||, and the boundary condition for outgoing waves normal to the surface. ... Versions of this program held in the CPC repository in Mendeley Data AADF_v1_0; SURFACE GREEN'S FUNCTION; 10.1016/0010-4655(85)90108-0 AADF_v2_0; SURFACE GREEN'S FUNCTION VER. 2; 10.1016/0010-4655(87)90119-6 AADF_v3_0; RUMPGF; 10.1016/0010-4655(88)90151-8 AADF_v4_0; fhi93g0; 10.1016/0010-4655(94)00127-N This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/trnmhm4vkn.1
title: Program to calculate Raynal-Revai coefficients of a three-body system in two or three dimensions

description: Abstract The hyperspherical harmonics approach to the few-body problem has been discussed extensively. For solving three-body problems, the so-called Raynal-Revai coefficient (R-R) is a necessity. A program written in Fortran 77 for computing R-R in two or three dimensions is presented. Title of program: GYP Catalogue Id: AAXP_v1_0 Nature of problem This program calculates Raynal-Revai coefficients of hyperspherical harmonic functions of a three-body system with arbitrary masses in two- or three- dimensions. Versions of this program held in the CPC repository in Mendeley Data AAXP_v1_0; GYP; 10.1016/0010-4655(87)90074-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/wmy9pnpg8r.1
title: Computation of line and continuum radiation from thermal radioastronomical sources

description: Abstract Title of program: RCMBLN Catalogue number: AAEG Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue). Computer: IBM 360/65; Installation: University College London Computer Centre. Operating system: OS Programming language used: FORTRAN IV High speed storage required: 25000 words No. of bits in a word: 32 Overlay structure: None No. of magnetic tapes required: 2 (optional) Other peripherals used: Card reader, line printer... Title of program: SELECT BN,CN VALUES Catalogue Id: AAEH_v1_0 Nature of problem The departure coefficients from thermodynamic equilibrium, bn, and their derivatives, cn, are required for the computation of intensities and profiles of hydrogen recombination lines from thermal radioastronomical sources. These coefficients have been computed by Brocklehurst(1970) for values of n up to 300, for 6 values of electron temperature, and for 8 values of electron density. As it is not expected that intensity calculations will be required for more than a few lines at a time, and as the ... Versions of this program held in the CPC repository in Mendeley Data aaeh_v1_0; SELECT BN,CN VALUES; 10.1016/0010-4655(75)90012-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/xj46mvstcn.1
title: The parallel computation of Racah coefficients using transputers

description: Title of program: PRACAH Catalogue Id: AAXE_v1_0 Nature of problem This paper is concerned with the calculation of Racah coefficients. These coefficients are required in the construction of angular integrals in atomic structure and scattering calculations. Versions of this program held in the CPC repository in Mendeley Data AAXE_v1_0; PRACAH; 10.1016/0010-4655(87)90037-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/zj49g67pkh.1
title: Timer - a software instrumentation routine for making timing measurements

description: Title of program: TIMER Catalogue Id: ABUH_v1_0 Nature of problem TIMER is an instrumental routine which measures and records the CPU timespent in various sections of a program, so that effort spent in optimization can be concentrated where it will be most effective. Versions of this program held in the CPC repository in Mendeley Data ABUH_v1_0; TIMER; 10.1016/0010-4655(74)90061-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/24jrzmkmt4.1
title: SYMCD—a REDUCE package for finding symmetries and conserved densities of systems of nonlinear evolution equations

description: Abstract A REDUCE package which finds symmetries and conserved densities of nonlinear evolution equations is presented. The new REDUCE package is available for multi component systems. Title of program: SYMCD Catalogue Id: AADG_v3_0 [ACPW] Nature of problem Integrable equations play important role in theoretical and mathematical physics. The existence of many symmetries and conserved densities suggests the integrability of the equations. Versions of this program held in the CPC repository in Mendeley Data AADG_v3_0; SYMCD; 10.1016/0010-4655(94)90193-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/d8pbft9xrv.1
title: Programs ‘CELESTE’ and ‘STELLA’ for computations in special relativity: Evaluation of the celestial view from an interstellar spacecraft

description: Title of program: CELESTE AND STELLA Catalogue Id: AACI_v1_0 Nature of problem CELESTE (batch-processing version) and STELLA (time-sharing terminal version) have been compiled to evaluate the celestial fore and aft views from a spacecraft in relativistic motion, aimed in any specified direction and located at any given distance from the solar system (i.e. , Earth). The calculations take account of the special-relativistic effects of space contraction, aberration, parallax, Doppler shift of wavelength (colour) (including shift of infra-red stellar sources into the visible r ... Versions of this program held in the CPC repository in Mendeley Data AACI_v1_0; CELESTE AND STELLA; 10.1016/0010-4655(83)90007-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/fd8h2pgvrz.1
title: A program for solving first kind Fredholm integral equations by means of regularization

description: Title of program: F1REGU Catalogue Id: AABX_v1_0 Nature of problem Fredholm integral equations of the first kind arise in the mathematical analysis of many physical problems. An important characteristic of such problems is that the information which we seek about a physical quantity A can only be obtained indirectly, by measuring some other quantity B which has some connection with A. Often, this connection can be expressed mathematically in terms of a Fredholm first kind integral equation. Versions of this program held in the CPC repository in Mendeley Data AABX_v1_0; F1REGU; 10.1016/0010-4655(85)90032-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/gmdhw7nnd4.1
title: Vectorized program of order N for molecular dynamics simulation of condensed matter II. MDSLAB1: Slab, short-range interactions

description: Abstract A vectorized program of order N for molecular dynamics simulation of condensed matter systems is presented. The program handles short-range interactions and it enables one to simulate efficiently very large systems. The program can be used on any vector computer and on the ETA 10-P supercomputer it calculates the interactions between the particles with a speed of about 50 000 particles/cpu s. Title of program: MDSLAB1 Catalogue Id: ABTQ_v1_0 Nature of problem Study of the thermodynamic, structural and dynamic properties of liquids or solids. Versions of this program held in the CPC repository in Mendeley Data ABTQ_v1_0; MDSLAB1; 10.1016/0010-4655(91)90127-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/h3dtgf5b2z.1
title: Coulomb plus strong interaction bound states - momentum space numerical solutions

description: Title of program: BOPIT Catalogue Id: AADM_v1_0 Nature of problem ADAPTATION SUMMARY: Vol:Year:Page 46:1987:193 "0001 AUTOMATIC GRIDPOINT METHOD" "Adaptation of Coulomb plus strong interaction bound states - momentum space solutions: automatic gridpoint method." R.J. Luce; F. Tabakin Note: adaptation instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AADM_v1_0; BOPIT; 10.1016/0010-4655(85)90047-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/n5by4d29j8.1
title: Users manual for the optime system

description: Title of program: OPTIME SYSTEM Catalogue Id: AAYB_v1_0 Nature of problem The OPTIME System is an assembly of subroutines for fitting theoretical expressions to statistical distributions, especially those arising in particle physics. The system also provides for calculating error matrices, performing integrations, and making histograms. Versions of this program held in the CPC repository in Mendeley Data AAYB_v1_0; OPTIME SYSTEM; 10.1016/0010-4655(73)90100-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/s6t65pkwdz.1
title: Quantum vibrational eigenstates from classical origins

description: Abstract An efficient method for obtaining molecular vibrational eigenstates using a basis set made up of semiclassical eigenstates is presented. The semiclassical basis functions are constructed from a set of Gaussian functions distributed uniformly on the invariant N-torus defined by a single quasiperiodic classical trajectory. A uniform distribution of Gaussians is achieved by mapping a uniform grid of points in the Hamilton-Jacobi angle variables (which parametrize the surface of the N-torus) onto... Title of program: DEMETER Catalogue Id: ABDM_v1_0 Nature of problem DETMETER uses output from PANDORA to construct a specified quantum mechanical basis set from semiclassical eigenstates and diagonalizes. Command input at runtime is used to control (i) which semiclassical functions will be included in the basis, (ii) whether or not eigenvectors will be computed and stored, and (iii) whether or not the Hamiltonian and overlap matrices are stored for subsequent calculations. Versions of this program held in the CPC repository in Mendeley Data abdm_v1_0; DEMETER; 10.1016/0010-4655(88)90064-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/spv9xpyybd.1
title: Single-particle energies, wave functions, quadrupole moments and g-factors in an axially deformed woods-saxon potential with applications to the two-centre-type nuclear problems

description: Title of program: WSBETA Catalogue Id: AAXX_v1_0 Nature of problem Single particles energies and wave functions of an axially deformed Woods-Saxon potential are computed. The Hamiltonian used includes the spin-or-bit interaction and the Coulomb potential for protons. The nuclear shape is defined in terms of an expansion into spherical- harmonics. 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 parametrisation of the potential well allows ... Versions of this program held in the CPC repository in Mendeley Data AAXX_v1_0; WSBETA; 10.1016/0010-4655(87)90093-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/wgdf2gntdn.1
title: SMOOS — A program for the filtration of non-stationary statistical series

description: Abstract A method is described for constructing numerical high and low frequency filters for the filtration of the trajectories of strongly non-stationary stochastic processes (e.g. with a trend of the type of resonance functions). Measures of function oscillations and function variability are introduced, and by making use of them the problem of constructing the above-mentioned filters is formulated in terms of the calculus of variations. A compact algorithm for the numerical implementation of the met... Title of program: SMOOS,SMOSI Catalogue Id: ABVQ_v1_0 Nature of problem The program either smoothes a statistical series with a strongly non- stationary (e.g. resonance-like) trend or extracts from it a low frequency envelope from below. Versions of this program held in the CPC repository in Mendeley Data ABVQ_v1_0; SMOOS,SMOSI; 10.1016/0010-4655(81)90014-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/xpkrbj9y9w.1
title: Monte Carlo integration program for the n-particle relativistic phase space integral in invariant variables

description: Title of program: MCN Catalogue Id: AAWB_v1_0 Nature of problem In scattering and production reactions of relativistic elementary particles cross sections and differential distributions resulting from an assumed theoretical transition matrix element are often wanted. The n-particle relativistic momentum phase space integral must be numerically evaluated to yield such information. In the course of this evaluation not only are 3n-10 independent variables dealt with but, in general, several dependent variables are encountered as well. Versions of this program held in the CPC repository in Mendeley Data AAWB_v1_0; MCN; 10.1016/0010-4655(78)90037-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/ycbvn2khyf.1
title: Linear and nonlinear ideal MHD codes-V103

description: Title of program: 2LDV103 Catalogue Id: ABUQ_v1_0 Nature of problem The linearized ideal MHD equations are advanced in time. Given an unstable MHD equilibrium, the result is the largest growth rate and the corresponding eigenmode. The geometry is a rectangular cylinder with conducting walls and periodic on the ends. Versions of this program held in the CPC repository in Mendeley Data ABUQ_v1_0; 2LDV103; 10.1016/0010-4655(77)90037-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/zcckfrjphj.1
title: Arbitrary 3 n-j symbols for SU (2)

description: Title of program: 3N-J SYMBOLS FOR SU(2) Catalogue Id: AAYA_v1_0 Nature of problem An arbitrary 3n-j, or recoupling, coefficient can be represented by a diagram consisting of 2n vertices connected by 3n directed line segments, with three lines connected to each vertex. This Fortran program will write a Fortran function to evaluate a given arbitrary 3n- j coefficient. Versions of this program held in the CPC repository in Mendeley Data AAYA_v1_0; 3N-J SYMBOLS FOR SU(2); 10.1016/0010-4655(70)90007-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/45xf4nvmy7.1
title: VACTIV: A graphical dialog based program for an automatic processing of line and band spectra

description: Abstract The program VACTIV–Visual ACTIV–has been developed for an automatic analysis of spectrum-like distributions, in particular gamma-ray spectra or alpha-spectra and is a standard graphical dialog based Windows XX application, driven by a menu, mouse and keyboard. On the one hand, it was a conversion of an existing Fortran program ACTIV [1] to the DELPHI language; on the other hand, it is a transformation of the sequential syntax of Fortran programming to a new object-oriented s... Title of program: VACTIV Catalogue Id: ABAC_v2_0 Nature of problem Program VACTIV is intended for precise analysis of arbitrary spectrum-like distributions, e.g. gamma-ray and X-ray spectra and allows the user to carry out the full cycle of automatic processing of such spectra, i.e. calibration, automatic peak search and estimation of parameters of interest. VACTIV can run on any standard modern laptop. Versions of this program held in the CPC repository in Mendeley Data ABAC_v1_0; ACTIV; 10.1016/0010-4655(82)90060-1 ABAC_v2_0; VACTIV; 10.1016/j.cpc.2013.01.005 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/4vn8bd5g9b.1
title: A program for the extraction of radiative lifetimes from experimental beam-foil intensity decay data

description: Title of program: HOMER Catalogue Id: AAED_v1_0 Nature of problem The problem is to analyse experimental beam-foil intensity decay data into a sum of exponential terms,each with an amplitude and lifetime parameter. The most apt number of parameters and the optimum value of each is to be determined, together with estimates of standard deviation. Method fo solution The minimum of chi-square is sought in an iterative procedure. Normal equations are obtained from a first order Taylor expansion of the multi-expotential fitting function, together with an auxiliary b ... Versions of this program held in the CPC repository in Mendeley Data AAED_v1_0; HOMER; 10.1016/0010-4655(74)90044-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/97s332xc64.1
title: A program system for ab initio MO calculations on vector and parallel processing machines III. Integral reordering and four-index transformation

description: Abstract This series of three papers presents a program system for ab initio molecular orbital calculations on vector and parallel computers. Part III is devoted to the four-index transformation on a molecular orbital basis of size NMO of the file of two-electron integrals (pq∥rs) generated by a contracted Gaussian set of size NATO (number of atomic orbitals). A fast Yoshimine algorithm first sorts the (pq∥rs) integrals with respect to index pq only. This file of half-sorted integrals labelled by thei... Title of program: ASTERIX-REORD, ASTERIX-TRANSF Catalogue Id: ABTA_v1_0 Nature of problem The evaluation of the correlation energy through Complete Active Space SCF iterations or CI expansion requires a file of two-electron integrals expressed over the basis of molecular orbitals (MOs) involved in the post-SCF treatment. Assuming that these MOs are known linear combinations of the initial atomic basis set, the present programs compute the integrals over the MO basis starting from a file of randomly distributed two-electron integrals expressed over the atomic orbital basis. Versions of this program held in the CPC repository in Mendeley Data ABTA_v1_0; ASTERIX-REORD, ASTERIX-TRANSF; 10.1016/0010-4655(91)90125-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/c66mjcnkwy.1
title: ACTIV — A program for automatic processing of gamma-ray spectra

description: Title of program: ACTIV Catalogue Id: ABAC_v1_0 Nature of problem Program ACTIV is intended for precise analysis of gamma-ray and X-ray spectra and allows the user to carry out the full cycle of automatic processing of a series of spectra, i.e. calibration, automatic peak search, determination of peak positions and areas, identification of the radioisotopes and the transformation of the areas found into masses of isotopes in the irradiated sample. ACTIV uses a complex mathematical technique and is oriented mainly to large computers, but using overlaid loading, ... Versions of this program held in the CPC repository in Mendeley Data ABAC_v1_0; ACTIV; 10.1016/0010-4655(82)90060-1 ABAC_v2_0; VACTIV; 10.1016/j.cpc.2013.01.005 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/gxpvxwj8s4.1
title: Subroutines for the evaluation of cross sections of one-photon radiative processes occuring in fast-electron H-atom collisions

description: Abstract We propose two distinct fast routines to evaluate the cross sections of the one-photon processes occuring in the course of fast electron-hydrogen atom collisions: free-free transitions observed in the presence of an external laser source and bremsstrahlung. In spite of the presence of the Coulomb Green's function, a very compact and numerically convenient expression of the related amplitude has been derived so that the computations can be performed on a microcomputer. Title of program: BREMSS Catalogue Id: ABTF_v1_0 Nature of problem During a collision event, the coupling of the electron-atom system with the empty modes of the electromagnetic field can lead to the spontaneous emission of bremsstrahlung radiation. The related transistion amplitude is, apart from a multiplicative factor, identical to the free-free transition one. Using the very compact form of this latter, the present routine evaluates the twofold differential bremsstrahlung cross section, i.e. the integration of the transition amplitude over all propagation d ... Versions of this program held in the CPC repository in Mendeley Data ABTF_v1_0; BREMSS; 10.1016/0010-4655(90)90014-R This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/hh48fgry2h.1
title: Particles-on-a-sphere method for computing the rotational-vibrational spectrum of H2O

description: Abstract An adiabatic separation of fast stretching from slow bending and rotational motion has been made for the water molecule. Two programs are presented; one solves the Schrödinger equation over the radial coordinates to obtain the stretching eigenvalues and eigenfunctions, as well as an effective bending potential and moment of inertia. The second program uses the results of the first as part of the Hamiltonian to solve the Schrödinger equation over the angular variables in order to obtain the ro... Title of program: SP2D Catalogue Id: ABDU_v1_0 Nature of problem An adiabatic separation of fast stretching from slow bending and overall rotational motion is made for the water molecule. This program performs a two dimensional integration over the two radial coordinates to obtain the stretching levels. In addition, an effective radius, mass of the heavy atom, and bending potential are calculated for input into the second program, which computes the bending and rotational levels. The effective bending potential can be obtained in one of two ways. One method ( ... Versions of this program held in the CPC repository in Mendeley Data abdu_v1_0; SP2D; 10.1016/0010-4655(88)90072-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)