cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/n2zwy5y3y4.1
title: RATH: A Maple package for finding travelling solitary wave solutions to nonlinear evolution equations

description: Abstract A Maple package RATH which outputs entirely automatically tanh-polynomial travelling solitary wave solutions of a given nonlinear evolution equation is presented. The effectiveness of RATH is demonstrated by applications to a variety of equations with physical interest as examples. Not only are previously known solutions recovered but in some cases new solutions and more general form of solutions are obtained. Title of program: RATH Catalogue Id: ADQK_v1_0 Nature of problem A Maple package RATH which outputs entirely automatically tanh-polynomial travelling solitary wave solutions of a given nonlinear evolution equation is presented. The effectiveness of RATH is demonstrated by applications to a variety of equations with physical interest as examples. Not only are previously known solutions recovered but in some cases new solutions and more general form of solutions are obtained. Versions of this program held in the CPC repository in Mendeley Data ADQK_v1_0; RATH; 10.1016/S0010-4655(02)00559-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/rjxwmdm528.1
title: PHASECALC: A code for the calculation of pseudobinary phase diagrams using no adjustable parameters

description: Abstract Pseudobinary phase diagrams are often used in the analysis of ternary semiconductor compounds of the form B_(1-x)A_x C where A, B and C are the pure elements and 0 ≤ x ≤ 1. The code PHASECALC is used for the calculation of pseudobinary phase diagrams. The code utilizes the Stringfellow method, and a modification of this method, to perform this calculation using no adjustable parameters. PHASECALC computes the temperature dependent solidus and liquidus lines as a function of mole fraction x.... Title of program: PHASECALC Catalogue Id: ADRP_v1_0 Nature of problem Solid, liquid and solid+liquid phases for semiconductor compounds of the type Bl-xAxC, where A, B and C are the constituent elements, are commonly depicted in the form of pseudobinary phase diagrams. The solidus and liquidus lines in these diagrams are calculated via the equilibrium of free energies between like components in different phases. This code uses the Stringfellow method [1], and a modification to this method, to calculate the solidus and liquidus curves in these phase diagrams using ... Versions of this program held in the CPC repository in Mendeley Data ADRP_v1_0; PHASECALC; 10.1016/S0010-4655(03)00158-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/svwgwcptgt.1
title: Computer analysis of Mössbauer spectra

description: Title of program: MOSSBAUER FITTING PROGRAM Catalogue Id: ABIB_v1_0 Nature of problem Experimental Mossbauer data are fitted to a sum of lorentzian lines. The program allows for several types of background: flat, sloping or parabolic. The parameters for the background are fitted simultaneously with the lorentzian parameters. Versions of this program held in the CPC repository in Mendeley Data ABIB_v1_0; MOSSBAUER FITTING PROGRAM; 10.1016/0010-4655(71)90024-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/swf6s4t7f6.1
title: Resfit — A multichannel resonance fitting program

description: Title of program: RESFIT Catalogue Id: AAFX_v1_0 Nature of problem This program fits K-matrices for cases, where a single discrete autoionising state interacts with several continua, to the form given by Burke. The background K-matrix and its first and second derivatives are calculated together with the position and the partial and total widths of the resonance. Versions of this program held in the CPC repository in Mendeley Data AAFX_v1_0; RESFIT; 10.1016/0010-4655(86)90022-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/t4xxc2gxsf.1
title: An effective algorithm for simulating acoustical wave propagation

description: Abstract In this paper, the acoustical wave propagator scheme is implemented in Fortran for predicting sound propagation in a one-dimensional duct. Example calculations are performed for a semi-infinite duct and a duct with a solid blockage. Numerical accuracy of our results is examined and compared with the finite-difference time-domain method. This scheme is found to be highly accurate and computationally effective for describing the time-domain evolution of acoustic waves. Multiple reflections with... Title of program: AWP.f90, v 1.0 Catalogue Id: ADRE_v1_0 Nature of problem In this paper, the acoustical wave propagator scheme is implemented in Fortran for predicting sound propagation in a one-dimensional duct. Example calculations are performed for a semi-infinite duct and a duct with a solid blockage. Numerical accuracy of our results is examined and compared with the finite-difference time-domain method. This scheme is found to be highly accurate and computationally effective for describing the time-domain evolution of acoustic waves. Multiple reflections within ... Versions of this program held in the CPC repository in Mendeley Data ADRE_v1_0; AWP.f90, v 1.0; 10.1016/S0010-4655(02)00700-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/62p42yhbdp.1
title: A new version of AAKL (the matrix elements of spin-orbit interaction) adapted to spectroscopic notation

description: Abstract Title of the program: SPINORBIT WEIGHTS 2 Catalogue number: ACXL Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: Amdahl 470 V/6; Installation: University of Alberta, Edmonton, Alberta, Canada Operating system: MTS Programming language used: FORTRAN IV High speed core required: 25590 bytes No. of bits per byte: 8 Overlay structure: none Other peripherals used: card reader, line printer, card punch No. of mag... Title of program: SPINORBIT WEIGHTS 2 Catalogue Id: AAKL_v2_0 [ACXL] Nature of problem This program is a revision of Klotz's program for calculation of the matrix elements of the one-body spin-orbit interaction using multiconfigurational wave-functions. A recent correction has been included in the present version. Versions of this program held in the CPC repository in Mendeley Data AAKL_v1_0; SPINORBITWEIGHTS; 10.1016/0010-4655(75)90027-2 AAKL_v2_0; SPINORBIT WEIGHTS 2; 10.1016/0010-4655(77)90013-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/c7ph5rrfvb.1
title: Cumulative atomic multipole moments and point charge models describing molecular charge distribution

description: Abstract The program for decomposition of a molecular charge distributions into the sets of cumulative atomic multipole moments (CAMM) up to hexadecapole moment is presented. Additionally decomposition of all atomic multipole moments into sets of point charges can be done reproducing simultaneously all atomic and molecular multipole moments up to quadrupole. The program follows the convention used in GAUSSIAN-82/GAUSSIAN-86 ab initio programs and can be used for further analysis of results obtained wi... Title of program: CAMM Catalogue Id: ABFV_v1_0 Nature of problem Decompostion of molecular multipole moments calculated in ab initio LCAO SCF, CISD or MBPT methods into atomic contributions in order to obtain higher resolution data on molecular charge distribution supplementing Mulliken population analysis and considerably improving convergence of multipole expansion in calculation of molecular electrostatic potentials, electric fields, etc. Versions of this program held in the CPC repository in Mendeley Data ABFV_v1_0; CAMM; 10.1016/0010-4655(89)90114-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/cbkj3xxy85.1
title: Indirect search for dark matter with micrOMEGAs_2.4

description: Abstract We present a new module of micrOMEGAs devoted to the computation of indirect signals from dark matter annihilation in any new model with a stable weakly interacting particle. The code provides the mass spectrum, cross-sections, relic density and exotic fluxes of gamma rays, positrons and antiprotons. The propagation of charged particles in the Galactic halo is handled with a new module that allows to easily modify the propagation parameters. Title of program: micrOMEGAs2.4 Catalogue Id: ADQR_v2_3 Nature of problem Calculation of the relic density and detection rates of the lightest stable particle in a generic new model of particle physics. Versions of this program held in the CPC repository in Mendeley Data ADQR_v1_0; micrOMEGAs; 10.1016/S0010-4655(02)00596-9 ADQR_v1_3; micrOMEGAs1.3; 10.1016/j.cpc.2005.12.005 ADQR_v2_0; micrOMEGAs2.0; 10.1016/j.cpc.2006.11.008 ADQR_v2_1; micrOMEGAs2.1; 10.1016/j.cpc.2007.08.002 ADQR_v2_2; micrOMEGAs2.2; 10.1016/j.cpc.2008.11.019 ADQR_v2_3; micrOMEGAs2.4; 10.1016/j.cpc.2010.11.033 ADQR_v3_0; micrOMEGAs3; 10.1016/j.cpc.2013.10.016 ADQR_v4_0; MicrOMEGAs4.1; 10.1016/j.cpc.2015.03.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/jm7n7p6rg2.1
title: Computer generated subgroup-symmetry adapted irreducible representations and CG coefficients of space groups by the Eigenfunction method

description: Abstract A program package is described which can compute ab-initio without the input of any complicated results the characters, subgroup-symmetry adapted projective (both single- and double-valued) irreducible representations of the little co-group and the full representation matrices of the space group, the wave-vector selection rules, the Clebsch-Gordan (CG) series and CG coefficients in 230 space groups, as well as the characters, irreducible representations and CG coefficients of the 32 point gro... Title of program: IR, CGC Catalogue Id: ABHE_v1_0 Nature of problem The program computes the characters, subgroup-symmetry adapted projective (both single- and double-valued) irreducible representations (irreps) of the little co-group and the ground representations, the wave-vector selection rules, the Clebsch-Gordan (CG) series and CG coefficients in 230 space groups. The program can also be used for computing the characters, irreps and CG coefficients of the 32 point groups. Versions of this program held in the CPC repository in Mendeley Data ABHE_v1_0; IR, CGC; 10.1016/0010-4655(89)90111-2 ABHE_v2_0; PGSG; 10.1016/S0010-4655(99)00201-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/p4nxxcvcmk.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: FCC64 Catalogue Id: ABFZ_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 abfz_v1_0; FCC64; 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/sznjcr462s.1
title: A program to calculate transverse Breit and QED corrections to energy levels in a multiconfiguration Dirac-Fock environment

description: Title of program: MCBP/BENA Catalogue Id: AAND_v1_0 Nature of problem The program is an extension of, and is used in conjunction with, a multiconfigurational Dirac-Fock (MCDF) program already published. This previous program solved the MCDF equations for an atomic system and dumped the solution (i.e. wavefunctions etc.) to tape or direct access device (hereafter referred to as disk). ... CORRECTION SUMMARY: Vol:Year:Page 23:1981:222 "000A CORRECTION 27/04/81" "A program to calculate transverse Breit and QED corrections to energy levels in a multi-configuration Dirac-Fock environment. (C.P.C. 21(1980)233)." B.J. McKenzie; I.P. Grant; P.H. Norrington Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AAND_v1_0; MCBP/BENA; 10.1016/0010-4655(80)90042-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/2jkm4pb9j5.1
title: Radial integrals in the Coulomb–Born approximation: Multipole transitions ☆

description: Abstract This is the second series of the radial integrals in Coulomb–Born approximation, and describes a computer program package CRIMPT2W, which evaluates the radial integrals for the general multipole transitions. The integral expressions are given analytically in terms of Appell functions. Title of program: CRIMPT2W Catalogue Id: ADQE_v1_0 Nature of problem This program calculates radial integrals in the Coulomb-Born approximation with respect to the electron impact excitations of positive ions. The integral is defined as an integral of the multipolar interaction over the initial and final Coulomb scattering functions. Versions of this program held in the CPC repository in Mendeley Data ADQE_v1_0; CRIMPT2W; 10.1016/S0010-4655(02)00458-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/92jbk5g44d.1
title: A program for atomic wavefunction computations by the parametric potential method

description: Abstract Title of program: MAPPAC Catalogue number: AAKC Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer for which the program is designed and others upon which it is operable Computer: UNIVAC 1108; Installation: Orsay, France; C.D.C. 6600. Jerusalem, Israel. Programming language used: FORTRAN IV High speed storage required: 50 000 words of 36 bits Is the program overlaid? No Number of magnetic ... Title of program: MAPPAC Catalogue Id: AAKC_v1_0 Nature of problem MAPPAC computes atomic radial wavefunctions, and many related quantities, such as Slater integrals, spin-orbit coupling, mixing of configurations, hyperfine structure, transition probabilities etc., in the framework of first-order perturbation theory, built upon an optimized central field. Versions of this program held in the CPC repository in Mendeley Data AAKC_v1_0; MAPPAC; 10.1016/0010-4655(71)90001-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/jm7b46npx8.1
title: A nonrelativistic program for optical response in atoms using a time-dependent local density approximation

description: Title of program: GOLIATH Catalogue Id: AAML_v1_0 Nature of problem The program does SCF calculations for atoms and ions in stationary states. It also calculates the response of an atom or ion to a weak external oscillating field taking account of the most important collective effects. The main output includes static and dynamic polarizabilities and photoabsorption and partial photoemission cross sections. Versions of this program held in the CPC repository in Mendeley Data AAML_v1_0; GOLIATH; 10.1016/0010-4655(84)90008-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/ngm6fmx88v.1
title: MULTI: A simulation program for laser processing of multilayer structures

description: Abstract We present a FORTRAN 77 program for laser processing of multilayer structures by solving the Heat Diffusion Equation under appropriate boundary conditions using the Forward Finite Differences Method. Title of program: MULTI Catalogue Id: ABFR_v1_0 Nature of problem We present a FORTRAN 77 program for laser processing of multilayer structures by solving the Heat Diffusion Equation under appropriate boundary conditions using Forward Finite Differences Method. Versions of this program held in the CPC repository in Mendeley Data ABFR_v1_0; MULTI; 10.1016/0010-4655(88)90173-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/pd62379khn.1
title: Wave number calculation from least-squares level values

description: Title of program: CALOR Catalogue Id: AAKE_v1_0 Nature of problem Wave numbers are calculated from least-squares level values. These are more accurate than expermentally determined wave numbers. Versions of this program held in the CPC repository in Mendeley Data AAKE_v1_0; CALOR; 10.1016/0010-4655(72)90049-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/pdv2495cvx.1
title: Monte Carlo simulation of pure SU(2) gauge theory on a body-centered hypercubic lattice

description: Title of program: BCH Catalogue Id: AABF_v1_0 Nature of problem The usual hypercubic formulation of lattice gauge theory may be improved by the alternative formulation of the theory of a body- centered hypercubic (BCH) lattice. The method for implementing the Monte Carlo algorithm for calculating Wilson loops and lines in an SU(2) gauge theory on a BCH lattice is described. Versions of this program held in the CPC repository in Mendeley Data AABF_v1_0; BCH; 10.1016/0010-4655(85)90069-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/rpst3rxcm2.1
title: Program for evaluation of non-exchange type integrals required in electron-atom scattering theory using slater-type orbitals as basis functions

description: Title of program: NETI Catalogue Id: AAGP_v1_0 Nature of problem The problem of electron scattering from atoms and other quantum mechanical scattering problems can be solved using algebraic variational methods. ... CORRECTION SUMMARY: Vol:Year:Page 8:1974:333 "000ACORRECTION 19/07/74" "Program for evaluation of non-exchange type integrals required in electron-atom scattering theory using Slater-type orbitals as basis functions. (C.P.C. 5(1973)80)." R.L. Smith; D.G. Truhlar ADAPTATION SUMMARY: Vol:Year:Page 9:1975:327 "0001 NETI/ETI" "Continuum exchange integrals for algebraic variational calculations of electron-atom scattering using Slater-type orbitals as basis functions." J. Abdallah Jr.; D.G. Truhlar Note: adaptation instructions are contained in source code Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AAGP_v1_0; NETI; 10.1016/0010-4655(73)90014-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/wbx8zn3rms.1
title: A computer program for internal conversion coefficients and particle parameters

description: Abstract Title of program: CATAR Catalogue number: ABGP Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: UNIVAC 1108; Installation: Sandoz A.G., Basel, Switzerland Operating system: EXEC 8 Programming language used: FORTRAN IV High speed store required: 26K words No. of bits in a word: 36 Overlay structure: None Number of magnetic tapes required: None Other peripherals used: Card reader, line printer Number of cards ... Title of program: CATAR Catalogue Id: ABGP_v1_0 Nature of problem CATAR calculates internal conversion coefficients and particle parameters for electric and magnetic multipole transitions. ... CORRECTION SUMMARY: Vol:Year:Page 0:unpublished:unpublished "000ACORRECTION 16/08/77" "Unpublished correction to a computer program for internal conversion coefficients and particle parameters." H.C. Pauli; U. Raff Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ABGP_v1_0; CATAR; 10.1016/0010-4655(75)90019-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/252hdpgysr.1
title: A general program to calculate atomic continuum processes using the R-matrix method

description: Title of program: RMATRX STG3 Catalogue Id: AAHC_v1_0 Nature of problem This program reads the hamiltonian matrix elements etc. stored on a permanent tape or disc file by RMATRX STG2. It then diagonalizes this matrix and calculates the R-matrix and the Buttle correction. Then either the electron atom or ion cross-section, the photoionization cross-section or the frequency dependent polarizability for a range of incident energies or frequencies is calculated. Versions of this program held in the CPC repository in Mendeley Data AAHC_v1_0; RMATRX STG3; 10.1016/0010-4655(74)90096-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/56k8vybtxj.1
title: The macroparticle code macpar to simulate the beam-beam interaction of high energy linear electron-positron colliders

description: Title of program: MACPAR Catalogue Id: AADP_v1_0 Nature of problem The interaction of a high energy electron and positron beam in a linear collider is considered. Analytical calculations of such processes are very restricted. Therefore the beam-beam interaction is simulated via a macroparticle computer code. The code MACPAR treats the calculation of e^+-(e^--) densities as well as the calculation of synchrotron photon densities, the calculation of particle trajectories and energy or angular spectra for electrons, positrons and photons. Versions of this program held in the CPC repository in Mendeley Data AADP_v1_0; MACPAR; 10.1016/0010-4655(86)90164-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/6j3bxtxt4z.1
title: Matrix linearization

description: Title of program: LINRZ Catalogue Id: AALI_v1_0 Nature of problem Given a Hermitian matrix H, with matrix elements defined as linear combinations of a set of adjustable parameters, the program computes the eigenvalues of H and the corresponding parameters that best reproduce a set of known numbers. Versions of this program held in the CPC repository in Mendeley Data AALI_v1_0; LINRZ; 10.1016/0010-4655(86)90237-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/8x7rtgpx4r.1
title: A vectorized code for the computation of the topological charge in SU(2) lattice gauge theory

description: Abstract A vectorized code for calculating the topological charge of an SU(2) lattice gauge field is presented. The program is based on the combinatoric algorithm of Phillips and Stone. The present version works for hypercubic lattices with the gauge field stored according to the three-dimensional checkerboard scheme. Other storage schemes and simplicial lattices can be accomodated with minor modifications. Title of program: QUBIC Catalogue Id: ABHQ_v1_0 Nature of problem Four-dimensional SU(N) gauge fields are characterized by a topological charge, known as the second Chern number to mathematicians. This feature, not shared by Abelian gauge fields, is conjectured to be significant for the peculiar properties of quantized nonabelian gauge theories. For example, the topology of the gauge field is known to be relevant to the resolution of the "UA(1) problem", and the role of topology in the confinement mechanism needs clarification. Versions of this program held in the CPC repository in Mendeley Data ABHQ_v1_0; QUBIC; 10.1016/0010-4655(89)90037-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)