cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/cdnk3gx464.1
title: Two programs to perform certain symbolic calculations in the enveloping algebra of a lie algebra

description: Title of program: ORDINVAR Catalogue Id: AATP_v1_0 Nature of problem To find explicit expressions (in standard order) for the invariants of a Lie algebra, i.e. for the polynomials in the generators which commute with all generators. An appropriate choice for the Lie algebra basis and for the order of the generators in standard form, leads to algebraic closed formulae for the eigenvalues of the generalized Casimir operators upon highest weight states of irreducible representations. Versions of this program held in the CPC repository in Mendeley Data AATP_v1_0; ORDINVAR; 10.1016/0010-4655(87)90027-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/fsk9d2jjn6.1
title: Recurrence solution of a block tridiagonal matrix equation with Neumann, Dirichlet, mixed or periodic boundary conditions

description: Title of program: PERDIAG Catalogue Id: AARF_v1_0 Nature of problem A theorist may wish to solve the matrix equation AU = W, rapidly, where A is a block tridiagonal matrix. This type of matrix equation frequently arises in the solution of problems in one space dimension; in the soluion of boundary-value and many initial-value problems (because the time-dependent problem has been formulated implicitly), where it is necessary to solve n coupled, finite difference equations. The program is capable of dealing with Neumann, Dirichlet, mixed or periodic boundary condi ... Versions of this program held in the CPC repository in Mendeley Data AARF_v1_0; PERDIAG; 10.1016/0010-4655(81)90092-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/s5y37ksnzj.1
title: A vectorizable eigenvalue solver for sparse matrices

description: Title of program: EIGVEC Catalogue Id: AARI_v1_0 Nature of problem This package solves the generalized eigenvalue problem Ax = lambdaBx, a problem which arises often, for example, in: physics, mechanics, and chemistry. Here A and B have a global block diagonal form and fine sparse structure as found in two-dimensional problems with a finite element approach. Versions of this program held in the CPC repository in Mendeley Data AARI_v1_0; EIGVEC; 10.1016/0010-4655(82)90045-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.26302/sshade/experiment_gs_20170713_008
title: Ag K edge XAS fluorescence of frozen Ag-GSH solution (pH=7)
DOI: 10.17632/9rpz94f7t8.1
title: A subroutine for approximation by cubic splines in the least squares sense

description: Title of program: BELLS Catalogue Id: AAPA_v1_0 Nature of problem The subroutine computes the approximation to the experimental data points, not necessarily equidistant, by a sum of the cubic bell spline, functions in the least squares sense. Versions of this program held in the CPC repository in Mendeley Data AAPA_v1_0; BELLS; 10.1016/0010-4655(78)90114-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/ck8s376d3n.1
title: Tests of resonances in the Painlevé analysis

description: Abstract Title of program: TPR Catalogue number: AATA Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: SIEMENS 7536 Operating system: BS 2000 Programming language used: REDUCE 2 High speed storage required: depends on the problem, minimally 100 Kwords No. of bits in a word: 32 Number of lines in combined program and test deck: 131 Title of program: TPR Catalogue Id: AATA_v1_0 Nature of problem A Painleve analysis of a partial differential equation is performed. Versions of this program held in the CPC repository in Mendeley Data AATA_v1_0; TPR; 10.1016/0010-4655(86)90010-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/g6shbsvm9b.1
title: Relativistic kinematics for three-body final states

description: Title of program: BODY3 Catalogue Id: ABOT_v1_0 Nature of problem Kinematically-complete relativistic reaction kinematics are calculated for 3-body final states using the principle of conservation of momentum-energy for an isolated system. This program takes, as input, the rest-masses of all the particles (except that of the target), the reaction Q-value, the 3-momentum of outgoing particle 1 and the emission direction of outgoing particle 2. The three-body kinematics problem is then reduced to an equivalent 2-body kinematics problem by constructing effective ... Versions of this program held in the CPC repository in Mendeley Data ABOT_v1_0; BODY3; 10.1016/0010-4655(72)90014-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/j4mjvvtzch.1
title: FPPAC: A two-dimensional multispecies nonlinear Fokker-Planck package

description: Title of program: FPPAC (CRAY VERSION) Catalogue Id: AAQU_v1_0 Nature of problem The complete nonlinear multispecies Fokker-Planck collision operator for a plasma in two-dimensional velocity space is solved. The operator is expressed in terms of spherical coordinates (v=speed, theta=angle between velocity and magnetic field directions, phi=azimuthal angle) under the assumption of azimuthal symmetry. Provision is made for additional physics contributions. Versions of this program held in the CPC repository in Mendeley Data aaqu_v1_0; FPPAC (CRAY VERSION); 10.1016/0010-4655(81)90105-3 aaqu_v2_0; FPPAC (CDC VERSION); 10.1016/0010-4655(81)90105-3 aaqu_v3_0; FPPAC88; 10.1016/0010-4655(88)90150-6 aaqu_v4_0; FPPAC94; 10.1016/0010-4655(94)90087-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/t65prpdt6r.1
title: Computation of total, differential, and double-differential cross sections for compound nuclear reactions of the type (a,b), (a,bγ) and (a,bγ-γ) (II) generalized programs “Mandy” and “Barbara” for arbitrary angular momenta in Hauser-Feshbach-Moldauer f...

description: Title of program: MANDY Catalogue Id: ABOA_v1_0 Nature of problem Evaluation of total and differential cross sections in absolute and normalized form for angular distributions in low-energy nuclear reactions of the type (a,b), (a,bgamma) or (a,bgamma-gamma) ... CORRECTION SUMMARY: Vol:Year:Page 2:1971:278 "000A CORRECTION 23/04/71" "(See footnote CPC vol 2 page 278). Computation of total, differential and double-differential cross sections for compound nuclear reactions of the type (a,b), (a,bgamma) and (a,bgamma-gamma) (II) Generalized programs MANDY and BARBARA for arbitrary angular momenta in Hauser-Feshbach-Moldauer formalism. (C.P.C. 1(1969)35)." E. Sheldon; R.M. Strang Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ABOA_v1_0; MANDY; 10.1016/0010-4655(69)90017-4 ABOA_v2_0; MANDYF; 10.1016/0010-4655(71)90003-8 ABOA_v3_0; CINDY; 10.1016/0010-4655(73)90049-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/zdn4njh386.1
title: Real and imaginary part of the heavy ion optical potential from a realistic nucleon-nucleon interaction

description: Title of program: RIHIOP Catalogue Id: ABPL_v1_0 Nature of problem The program calculates the volume and surface contribution to both the real and imaginary parts of the optical potential between two heavy ions. The volume part is computed by a double folding procedure which uses a complex effective force as input while the surface part is obtained as the second order term of the Feshbach expression by taking explicitly into account the excitation of a set of intermediate vibrational states. Versions of this program held in the CPC repository in Mendeley Data ABPL_v1_0; RIHIOP; 10.1016/0010-4655(83)90045-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/5mmwv4k7bx.1
title: An efficient partial-wave analyser for the absorption model

description: Title of program: EPWAAM Catalogue Id: AAUF_v1_0 Nature of problem This program is concerned with the phenomenological analysis of high- energy 2-body scattering processes in terms of the absorption model. Versions of this program held in the CPC repository in Mendeley Data AAUF_v1_0; EPWAAM; 10.1016/0010-4655(73)90062-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/676m75mxzn.1
title: Harmonic Debye-Waller factors for cubic materials

description: Title of program: DWB87 Catalogue Id: AATZ_v1_0 Nature of problem Determination of the Deybe-Waller B factors (which are proportional to the mean square vibrational amplitudes of atoms) at any temperature using lattice dynamical eigendata. Also, for a shell model, to determine the X-ray Debye-Waller B values appropriate to motion of the shell. Versions of this program held in the CPC repository in Mendeley Data AATZ_v1_0; DWB87; 10.1016/0010-4655(87)90041-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/8gg84sxpsv.1
title: Calculation of X-ray absorption near-edge structure, XANES

description: Title of program: DLXANES Catalogue Id: AARR_v1_0 Nature of problem To calculate the transition rate for X-ray absorption close to threshold for condensed systems in which the local atomic arrangement may be complex (e.g. crystals with many atoms per unit cell, disordered systems, surfaces, etc.). We are concerned with the so-called X-ray absorption near-edge structure (XANES), within approximately 50 eV of the edge. ADAPTATION SUMMARY: Vol:Year:Page 40:1986:421 "0001 ICXANES" "An update of DLXANES, the calculation of X-ray absorption near-edge structur ... Note: adaptation instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AARR_v1_0; DLXANES; 10.1016/0010-4655(82)90035-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/rvcsc64k2p.1
title: Folded Yukawa-plus-exponential model pes for nuclei with different charge densities

description: Title of program: FYPEDIFC Catalogue Id: ABQH_v1_0 Nature of problem The deformation dependent terms of the potential energy in the folded Yukawa-plus-exponential model for nuclei with different charge densities are: volume, Coulomb and surface energies. They are expressed by an analytical relationship, two- and three-fold integrals, respectively, if one assumes nuclear shapes with axial symmetry. One has to consider separately the self-energies of the two fragments and their interaction energy. Versions of this program held in the CPC repository in Mendeley Data ABQH_v1_0; FYPEDIFC; 10.1016/0010-4655(80)90051-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/vskrhdnbvy.1
title: Coulomb functions in entire (ɳ, ϱ) - plane

description: Title of program: COULOM FOR REAL ENERGY Catalogue Id: ABOQ_v1_0 Nature of problem The subroutine COULOM calculates the regular and irregular Coulomb functions Fl(eta,rho) and Gl(eta,rho) and their derivatives for real positive energy in the whole (eta,rho)-plane (eta can take all values between and equal to -500 and 500, rho is greater than or equal to 0) with a uniformly high accuracy. This program will be useful, e.g., for the nuclear scattering and reaction calculations involving heavy projectiles, when rho is no longer very large compared with eta. It thus supplements exi ... Versions of this program held in the CPC repository in Mendeley Data ABOQ_v1_0; COULOM FOR REAL ENERGY; 10.1016/0010-4655(72)90057-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/vzdvfptywb.1
title: Programs for the dynamic simulation of liquids and solids II. MDIONS : Rigid ions using the Ewald sum (vectorised version on the cray-1)

description: Title of program: MDIONS (VECTORISED) Catalogue Id: AARM_v2_0 [AARN] Nature of problem Study of the thermodynamic, structural and dynamic properties of ionic solids or liquids, or mixtures thereof. CORRECTION SUMMARY: Vol:Year:Page 28:1983:323 "000A CORRECTION 09/09/82" "Programs for the dynamic simulation of liquids and solids. II. MDIONS: rigid ions using the Ewald sum (vectorised version on the CRAY-1). (C.P.C. 25(1982)177)." D. Fincham Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AARM_v1_0; MDIONS; 10.1016/0010-4655(82)90032-7 AARM_v2_0; MDIONS (VECTORISED); 10.1016/0010-4655(82)90033-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/x6ff2np8zm.1
title: A Fortran program to collect histograms of microscopic scalar interactions

description: Title of program: INTHIST2 Catalogue Id: ABMX_v1_0 Nature of problem The effects of scalar interactions among members of a host lattice, and/or between these and an interstitial or substituted species, are simulated. Versions of this program held in the CPC repository in Mendeley Data ABMX_v1_0; INTHIST2; 10.1016/0010-4655(78)90039-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/2tsxg4zffb.1
title: MULTIQUARK calculations with SCHOONSCHIP

description: Title of program: MULTIQUARK Catalogue Id: AAVG_v1_0 Nature of problem The purpose of MULTIQUARK is to use the algebra program SCHOONSCHIP to calculate the spectrum of multiquark systems. For this purpose the colour-magnetic interaction HCM has to be found. It is shown how this operator can be programmed in SCHOONSCHIP using the substitution facility. Versions of this program held in the CPC repository in Mendeley Data AAVG_v1_0; MULTIQUARK; 10.1016/0010-4655(82)90005-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/6sdhr5y5cy.1
title: Programs for the coupling of spherical harmonics

description: Title of program: YLM-COUPLING Catalogue Id: AARL_v1_0 Nature of problem The subroutines GAUNT and RECYLM allow the linearization of the product of two spherical harmonics. The summation limits are determined by certain selection rules for the GAUNT coefficients. Versions of this program held in the CPC repository in Mendeley Data AARL_v1_0; YLM-COUPLING; 10.1016/0010-4655(82)90031-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/f7jhfkbykd.1
title: Pseudopotential matrix elements in the Gaussian basis

description: Title of program: PSEPOT Catalogue Id: AAQL_v1_0 Nature of problem The incorporation of atomic pseudopotentials in the calculation of the electronic structure of molecules and larger complexes leads to a decrease in the size of the problem since in the frozen core approximation only valence electrons need to be considered. PSEPOT is a subprogram that computes matrix elements of atomic pseudopotentials occuring in the above mentioned calculations provided that both the pseudopotentials and the basis functions are expressed as linear combinations of different Gau ... Versions of this program held in the CPC repository in Mendeley Data aaql_v1_0; PSEPOT; 10.1016/0010-4655(81)90003-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/hprmyfkvgm.1
title: Static and dynamic Muonic-atom codes - Muon and Rurp

description: Title of program: RURP Catalogue Id: ABNC_v1_0 Nature of problem Coupled muon-nuclear wave funtions, energy levels, and transitions energies and intensities are calculated. The results are corrected for nearly all effects of nuclear excitation. Versions of this program held in the CPC repository in Mendeley Data abnc_v1_0; RURP; 10.1016/0010-4655(79)90090-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/k98kk46f39.1
title: Programs to aid in establishing gamma-ray decay schemes, DCSCH3 and DCSCH4

description: Abstract Title of program: (32 characters maximum) Decay scheme program DCSCH3 Catalogue number: ABOF 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: IBM 360-50. Installation: North Texas State University Operating system or monitor under which the program is executed: OS MFT II (HASPII) Programming languages used: FORTRAN IV H High speed... Title of program: DECAY SCHEME PROGRAM, DCSCH4 Catalogue Id: ABOG_v1_0 Nature of problem The problem of determining a gamma-ray decay scheme and establishing energy levels from the gramma-spectra can be a tedious process. The programs DCSCH3 and DCSCH4 are designed to furnish the experimenter, in a convenient form, the information he needs to carry out this task. Versions of this program held in the CPC repository in Mendeley Data ABOG_v1_0; DECAY SCHEME PROGRAM, DCSCH4; 10.1016/0010-4655(71)90004-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/tw7xcjxd62.1
title: Fortran program to calculate finite-range no-recoil DWBA transfer cross sections

description: Abstract Title of program: FINITE RANGE DWBA PHASE 1 Catalogue number: ABOW 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 of Iowa Computer Center Operating system: HASP OS/360 Programming language used: FORTRAN High speed storage required: 24,576 words No. of bits in a word: 32 Overlay structure: None No. of magnetic tapes required: None Other peripherals used: Card reader, li... Title of program: FINITE RANGE DWBA PHASE 2 Catalogue Id: ABOX_v1_0 Nature of problem The program calculates angular distributions produced by direct nuclear transfer reactions. In this type of reaction one assumes that a nucleon or cluster of nucleons is transferred directly from a bound state in th e projectile nucleus to a bound state in the target nucleus. Versions of this program held in the CPC repository in Mendeley Data abox_v1_0; FINITE RANGE DWBA PHASE 2; 10.1016/0010-4655(74)90054-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/8sxvv3mvm5.1
title: Complex angular momentum methods for elastic scattering with an optical potential

description: Title of program: REGGE Catalogue Id: ABNF_v1_0 Nature of problem The computer program REGGE solves the radial part of the Schrodinger equation for a central complex potential. It locates the poles and zeros of the scattering S-matrix in a complex angular momentum plane, and also computes the residues of the poles. The pole terms thus obtained are combined with the background integral term and the sum, after being projected on to physical (real integer) angular momentum space, is used to calculate cross sections. Versions of this program held in the CPC repository in Mendeley Data ABNF_v1_0; REGGE; 10.1016/0010-4655(79)90012-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/gmtr6v88xt.1
title: Pseudopotential matrix elements in the Gaussian basis

description: Title of program: COMPANGI Catalogue Id: AAQN_v1_0 Nature of problem Computation of angular integrals for the program PSEPO1. Versions of this program held in the CPC repository in Mendeley Data aaqn_v1_0; COMPANGI; 10.1016/0010-4655(81)90003-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/jx4p8pprdh.1
title: FPPAC94: A two-dimensional multispecies nonlinear Fokker-Planck package for UNIX systems

description: Abstract FPPAC94 solves the complete nonlinear multispecies Fokker-Planck collison operator for a plasma in two-dimensional velocity space. The operator is expressed in terms of spherical coordinates (speed and pitch angle) under the assumption of azimuthal symmetry. Provision is made for additional physics contributions (e.g. rf heating, electric field acceleration). The charged species, referred to as general species, are assumed to be in the presence of an arbitrary number of fixed Maxwellian speci... Title of program: FPPAC94 Catalogue Id: AAQU_v4_0 [ACTM] Nature of problem The complete nonlinear multispecies Fokker-Planck collision operator for a plasma in two-dimensional velocity space is solved. The operator is expressed in terms of spherical coordinates (v = speed, theta = angle between velocity and magnetic field directions, phi = azimuthal angle) under the assumption of azimuthal symmetry. Provision is made for additional physics contributions. Versions of this program held in the CPC repository in Mendeley Data aaqu_v1_0; FPPAC (CRAY VERSION); 10.1016/0010-4655(81)90105-3 aaqu_v2_0; FPPAC (CDC VERSION); 10.1016/0010-4655(81)90105-3 aaqu_v3_0; FPPAC88; 10.1016/0010-4655(88)90150-6 aaqu_v4_0; FPPAC94; 10.1016/0010-4655(94)90087-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/nv99ytx2tm.1
title: A new version of the program for the generation of symmetry-adapted functions for molecular calculations

description: Abstract A few hundred changes in the original code written in ICL 4-72 FORTRAN have been made. A new version can be compiled without any difficulties by standard FORTRAN 77 compilers Title of program: SYMMET VERSION 2 Catalogue Id: AAPD_v2_0 [ABRA] Nature of problem The group theory is used for the classification of the electron states of molecules and the transformation of the matrix eigenvalue problem to a quasidiagonal form. If the p-basis on any atom is used, the group analysis of the vibrational problems can also be made. Versions of this program held in the CPC repository in Mendeley Data AAPD_v1_0; SYMMET; 10.1016/0010-4655(81)90087-4 AAPD_v2_0; SYMMET VERSION 2; 10.1016/0010-4655(90)90068-C This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/2hvvs4vr8c.1
title: Exact finite-range microscopic calculations for heavy-ion induced two-nucleon transfer reactions

description: Title of program: SATTNT-FOR-EFR-MICRO-DWBA Catalogue Id: ABMU_v1_0 Nature of problem The program SATTNT calculates the form factor for two-nucleon transfer reactions. The approach adopted in this program is the exact-finite- range microscopic theory. The created form factor is to be used in for instance the MARS-1 program to calculate the DWBA cross sections, catalogue number ABPA CPC 8(1974)349. Versions of this program held in the CPC repository in Mendeley Data ABMU_v1_0; SATTNT-FOR-EFR-MICRO-DWBA; 10.1016/0010-4655(76)90088-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/46vf65xv38.1
title: A fortran program to fit diffusion models to field-gradient spin echo data

description: Title of program: DIFFUS5 Catalogue Id: ABNE_v2_0 [ABNI] Nature of problem NMR spin echo attenuation in the presence of steady and/or pulsed magnetic field gradients is interpreted in terms of diffusion constants and parameters of inhomogeneity, anisotropy or relative intensity. Versions of this program held in the CPC repository in Mendeley Data ABNE_v1_0; DIFFUS2; 10.1016/0010-4655(79)90058-4 ABNE_v2_0; DIFFUS5; 10.1016/0010-4655(81)90018-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)