cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/kjwdgsjcpj.1
title: Allowed values of coupled angular momentum and i-spin for nucleons in a single shell in j-j coupling

description: Title of program: JNTJN Catalogue Id: ABKC_v1_0 Nature of problem If there are a given number of nucleons in a single shell in j-j coupling, there are only a restricted number of orthogonal eigenfunctions allowed by the exclusion principle. The program JNTJN calculates the number of allowed eigenfunctions in the representation of coupled i-spin and angular momentum; i.e., the number of eigenvectors for each pair of T and J values is calculated. Versions of this program held in the CPC repository in Mendeley Data ABKC_v1_0; JNTJN; 10.1016/0010-4655(70)90020-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/xpk4b48jbg.1
title: GISP - Gauss-integration subroutine pack

description: Title of program: GISP Catalogue Id: AAPE_v1_0 Nature of problem A calculation of definite integrals appears in almost all physical problems. In many cases the integrals have to be evaluated numerically. The present pack enables one to employ the Gauss integration method with an optional number of nodes for four different weight functions, i.e. for four different types of integrals. Versions of this program held in the CPC repository in Mendeley Data AAPE_v1_0; GISP; 10.1016/0010-4655(84)90070-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/htmxz8h3xd.1
title: Standalone relativistic continuum wavefunction solver

description: Abstract A modification of the relativistic continuum wavefunction solver [W.F. Perger et al., Comput. Phys. Commun. 76 (1993) 250] is described. The additional angular structure needed for some open shell systems is now read from an extra input file to enhance the set of treatable systems. The convergence behavior is significantly improved by choosing a hydrogenic continuum wavefunction as starting point for the self-consistent field process. Results of the calculated Hg6sϵsJ=1 continuum are compared... Title of program: CONTWVSA version 1.0 Catalogue Id: AANC_v3_0 [ADPC] Nature of problem The relativistic Dirac-Fock equations are set up and solved numerically for continuum wavefunctions. Versions of this program held in the CPC repository in Mendeley Data AANC_v1_0; MCDF; 10.1016/0010-4655(80)90041-7 AANC_v2_0; CONTWVG; 10.1016/0010-4655(93)90136-Z AANC_v3_0; CONTWVSA version 1.0; 10.1016/S0010-4655(01)00208-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/z2kffw82hm.1
title: DWPI: A computer program to calculate the inelastic scattering of pions from nuclei

description: Title of program: DWPI Catalogue Id: ABIG_v1_0 Nature of problem Angular distributions for the inelastic scattering of pions are generated using the distorted wave impulse approximation (DWIA). The cross-section for a given transition is calculated by summing a partial wave expansion. The T-matrix elements are calculated using distorted pion waves from the program PIRK, and therefore include elastic scattering to all orders. The excitation is treated in first order only. Several optical potentials and nuclear densities are available in the program. The transi ... Versions of this program held in the CPC repository in Mendeley Data ABIG_v1_0; DWPI; 10.1016/0010-4655(76)90042-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/6t2t59htrm.1
title: The method of Raptis and Allison with automatic error control

description: Title of program: EXPFIT1 Catalogue Id: AANA_v1_0 Nature of problem Program EXPFIT1 solves the single channel radial Schrodinger equation in the form y''(x) = (L*(L+1)/x^2 - E + V(x)) * y(x). The test program solves the above problem for scattering of an electron by the static potential of atomic hydrogen, for a range of values of the energy E and angular momentum L. The solution is calculated to a specified accuracy; scattering phase shifts are also calculated. Versions of this program held in the CPC repository in Mendeley Data AANA_v1_0; EXPFIT1; 10.1016/0010-4655(80)90009-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/zddwdtgttk.1
title: Generation of symmetry-adapted functions for molecular calculations

description: Title of program: SYMMET Catalogue Id: AAPD_v1_0 Nature of problem The group theory is used for the classification of energy states of molecules and the transformation of the eigenvalue problem to a quasidiagonal form. 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: 10.26302/sshade/experiment_im_20120926_001
title: Co K edge XAS transmission and XAS fluorescence and XAS HERFD of Co oxides and salts for the study of Co doping in maghemite nanoparticles

description: Varying the Co environment and adapting the observation mode as a function of the Co content
DOI: 10.17632/pg892n4r4h.1
title: A microcomputer program for the correlating of two ordered lists of numbers

description: Title of program: INDCAL Catalogue Id: AAQR_v1_0 Nature of problem The program segment determines the positions of different entries in two ordered lists of numbers. This is done for the analysis of complex spectra using the Unitary Group methods. Versions of this program held in the CPC repository in Mendeley Data AAQR_v1_0; INDCAL; 10.1016/0010-4655(81)90005-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/56hzht65hj.1
title: Program system for analysing positron lifetime spectra and angular correlation curves

description: Title of program: PATFIT Catalogue Id: AANN_v1_0 Nature of problem In the field of positron annihilation research two of the experimental methods used are positron lifetime and angular correlation measurements. In both cases a measured spectrum normally consists of a sum of several components. The experimenter wants to extract from the spectra characteristic parameters for each component. Versions of this program held in the CPC repository in Mendeley Data AANN_v1_0; PATFIT; 10.1016/0010-4655(81)90006-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/gs424pj524.1
title: Plot program for laue patterns and stereographic projections

description: Title of program: PLOMAC Catalogue Id: AAQE_v1_0 Nature of problem The program simulates Laue patterns of any crystal type and of any crystal orientation. With the aid of a catalogue of plotted Laue diagrams the orientation of single crystals can be carried out quite easily by the direct comparison of the Laue photographs with the diagrams. This can be performed even by people with no previous experience in this field. Versions of this program held in the CPC repository in Mendeley Data AAQE_v1_0; PLOMAC; 10.1016/0010-4655(79)90117-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/dh7bzb839f.1
title: CONTIN: A general purpose constrained regularization program for inverting noisy linear algebraic and integral equations

description: Title of program: CONTIN (VERSION 2SP) Catalogue Id: AAOC_v1_0 Nature of problem Many experiments are indirect in that the observed data are linear integral (or matrix) transforms of the quantities to be estimated. These transforms typically arise because of the imperfect impulse response of the detection system or because of the indirect nature of the experiment itself (as with Fourier transforms in diffraction and Laplace transforms in relaxation experiments). The inversion of these linear operator equations are generally ill-posed problems in that there exists a large num ... Versions of this program held in the CPC repository in Mendeley Data aaoc_v1_0; CONTIN (VERSION 2SP); 10.1016/0010-4655(82)90174-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/ghjtgkhh39.1
title: Simulation of photographic images on a plotter

description: Title of program: PHOTO SIMULATION Catalogue Id: AAQG_v1_0 Nature of problem The subroutine may be usefully applied to visualize the output intensity of a function of two variables (in either Cartesian or polar coordinates), and/or follow its time evolution; example of application: mapping, stresses picture simulation, etc. Versions of this program held in the CPC repository in Mendeley Data AAQG_v1_0; PHOTO SIMULATION; 10.1016/0010-4655(81)90106-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/95h8pfd928.1
title: LSFBTR: A subroutine for calculating spherical bessel transforms

description: Title of program: LSFBTR Catalogue Id: AANZ_v1_0 Nature of problem Transforming an angular momentum wave function from coordinate to momentum representation requires the calculation of Hankel transforms for spherical Bessel functions. This subroutine calculates such integrals when the function to be transformed is given numerically at r values that are distributed uniformly in the variable ln(r). The resulting values of the transform are given at k values distributed uniformly in the variable ln(k). Versions of this program held in the CPC repository in Mendeley Data AANZ_v1_0; LSFBTR; 10.1016/0010-4655(83)90126-1 AANZ_v2_0; NumSBT; 10.1016/j.cpc.2008.10.003 AANZ_v3_0; SBT, version number 3; 10.1016/j.cpc.2010.08.024 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/v3cstpn8dx.1
title: Implementation of the partitioned data set concept for DEC-10 computers

description: Title of program: DEC-10 PARTITIONED DATA SETS Catalogue Id: AAQT_v1_0 Nature of problem User's programs may need to make input/output to numerous sets of similar data, each to be read sequentially but in an order to be determined at execution time. It is convenient to group sets of data into a single data set on a random-access device and arrange for the sequential transfer of the data for an individual 'member'. Documentary information and backup capacities may also be desired. A significant savings in storage space can be obtained if multiple blanks are removed from character dat ... Versions of this program held in the CPC repository in Mendeley Data AAQT_v1_0; DEC-10 PARTITIONED DATA SETS; 10.1016/0010-4655(81)90177-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/dc9647j62m.1
title: Complex zeros of analytic functions

description: Title of program: CRTEST Catalogue Id: AAOO_v1_0 Nature of problem The subroutine CROOT in CRTEST provides a versatile means of locating the zeros (within an annular region of the complex plane) of an analytic function specified by a user-supplied subroutine. CROOT has already been successfully applied in electromagnetic diffraction theory, in plasma astrophysics and in solar energy. Versions of this program held in the CPC repository in Mendeley Data AAOO_v1_0; CRTEST; 10.1016/0010-4655(83)90005-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/hywmmbcbmk.1
title: Monte-Carlo simulation of pure U(N) and SU(N) lattice gauge theories with fundamental and adjoint couplings

description: Title of program: SUUNFA Catalogue Id: AAOT_v1_0 Nature of problem The program simulates thermal equilibrium for U(N) and SU(N) lattice gauge theories with couplings in both the fundamental and adjoint representations. Gauge theories on a lattice were originally proposed by Wilson and Polyakov. Versions of this program held in the CPC repository in Mendeley Data AAOT_v1_0; SUUNFA; 10.1016/0010-4655(83)90030-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/5xh9czw5gh.1
title: Program package for calculating matrix elements of two-cluster structures in nuclei

description: Title of program: PRO2C Catalogue Id: AAOI_v1_0 Nature of problem The dynamics of a nucleus with cluster structure or with an interplay of different cluster structures lies in the corresponding Hill-Wheeler equation. The kernels of this equation are matrix elements of the Hamiltonian and the identity between functions obtained from Slater determinants of cluster structures by the angular momentum and parity projection. The purpose of program PRO2C is to calculate the necessary matrix elements. Versions of this program held in the CPC repository in Mendeley Data aaoi_v1_0; PRO2C; 10.1016/0010-4655(82)90052-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/khx924fp4r.1
title: FCFRKR — A procedure to evaluate Franck-Condon type integrals for diatomic molecules

description: Title of program: FCFRKR Catalogue Id: AAOR_v1_0 Nature of problem This program package is concerned with the construction of RKR potentials and the solution of the Schrodinger equation for the nuclear motion ofdiatomic molecules (vibrational-rotational wave functions). ... ADAPTATION SUMMARY: Vol:Year:Page 36:1985:109 "0001 FCFRKR*ADAPT1" "Comments on the program FCFRKR." H.H. Telle; U. Telle ADAPTATION SUMMARY: Vol:Year:Page 36:1985:109 "0002 FCFRKR*LEVEL2CDC" "Comments on the program FCFRKR." H.H. Telle; U. Telle Note: adaptation instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AAOR_v1_0; FCFRKR; 10.1016/0010-4655(82)90059-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/nr5cggpss7.1
title: A Fortran system to maintain a program library 2. Retrieval of program decks from the library files

description: Title of program: CPSN Catalogue Id: AANG_v1_0 Nature of problem Program RETRIEVE retrieves decks, specified by their catalogue numbers from master library files which are copies of the files described in paper 1. The files may be serial or direct access. The output medium can be cards or listings. Only one person is supplied in one run. Programs CPSN, CPIN, CREC are auxiliary programs, described in appendices 1 and 2, for file manipulation. Versions of this program held in the CPC repository in Mendeley Data aang_v1_0; CPSN; 10.1016/0010-4655(81)90080-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/y294ttxyw4.1
title: NumSBT: A subroutine for calculating spherical Bessel transforms numerically

description: Abstract A previous subroutine, LSFBTR, for computing numerical spherical Bessel (Hankel) transforms is updated with several improvements and modifications. The procedure is applicable if the input radial function and the output transform are defined on logarithmic meshes and if the input function satisfies reasonable smoothness conditions. Important aspects of the procedure are that it is simply implemented with two successive applications of the fast Fourier transform, and it yields accurate results... Title of program: NumSBT Catalogue Id: AANZ_v2_0 Nature of problem This program is a subroutine which, for a function defined numerically on a logarithmic mesh in the radial coordinate, generates the spherical Bessel, or Hankel, transform on a logarithmic mesh in the transform variable. Accurate results for large values of the transform variable are obtained, that would not be otherwise obtainable. Versions of this program held in the CPC repository in Mendeley Data AANZ_v1_0; LSFBTR; 10.1016/0010-4655(83)90057-7 AANZ_v2_0; NumSBT; 10.1016/j.cpc.2008.10.003 AANZ_v3_0; SBT, version number 3; 10.1016/j.cpc.2010.08.024 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/3xpf7x8t6r.1
title: Exact PWBA virtual photon spectrum for A(γv, D)R

description: Title of program: VPSPEC Catalogue Id: AAOQ_v1_0 Nature of problem Quite often in nuclear and intermediate energy physics it is desirable to extract photon induced cross sections from measured electron induced cross sections. Assuming the validity of virtual photon theory this extraction can be carried out by means of a virtual photon spectrum. Versions of this program held in the CPC repository in Mendeley Data AAOQ_v1_0; VPSPEC; 10.1016/0010-4655(83)90043-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/bptnfykrbj.1
title: The potential created by an alternating point charge in a Maxwellian magneto-plasma

description: Title of program: POTENT Catalogue Id: AAQP_v1_0 Nature of problem Computation of the potential created by an alternating point charge in a stationary Maxwellian magneto-plasma, neglecting ion motion and collisions, for a broad range of values of the distance vector from the source and of the plasma frequency, when the excitation frequency is below the cyclotron frequency. Versions of this program held in the CPC repository in Mendeley Data AAQP_v1_0; POTENT; 10.1016/0010-4655(81)90031-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/4phxcsd4d6.1
title: A program for analysing the Rydberg series of highly excited discrete spectra by M.Q.D.T.

description: Title of program: MQDTAC Catalogue Id: AANQ_v1_0 Nature of problem A collision theory analysis of highly perturbed spectra has been recently developed by Fano which relies on Seaton's Multichannel Quantum Defect Theory (M.Q.D.T.). Various photoabsorption data relevant to discrete, autoionization and continuous spectra can be expressed in terms of three sets of meaningful parameters. The program enables several atomic quantities to be computed in terms of these M.Q. D.T. parameters (mualpha, Uialpha, Dalpha). The mualpha and Uialpha parameters relevant to the ca ... Versions of this program held in the CPC repository in Mendeley Data AANQ_v1_0; MQDTAC; 10.1016/0010-4655(82)90019-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/5tg3d5whjd.1
title: Classification of auger-transitions in LS-coupling

description: Title of program: AUGER-TRANSITIONS CLASSIFICATION Catalogue Id: AAOV_v1_0 Nature of problem Auger transitions for light atoms may often be described in LS- coupling. This program determines whether these transitions are allowed or forbidden. In addition, information is given on the degree of forbiddenness: parity forbidden, spin-forbidden or both. For many cases of spectrum-analysis these data together with calculated transition energies will yield sufficient information for identification of observed lines. As exact calculations of transition- probabilities for Auger-decays are often ... Versions of this program held in the CPC repository in Mendeley Data AAOV_v1_0; AUGER-TRANSITIONS CLASSIFICATION; 10.1016/0010-4655(82)90055-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/mmvn4xgb37.1
title: A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method

description: Title of program: RMATRX RECUD Catalogue Id: AANU_v1_0 Nature of problem This program reads from magnetic tape or disc file, reduced dipole length and velocity matrices calculated in LS-coupling by RMATRX STG2R and recoupling information calculated by RMATRX RECUP. Using this information reduced dipole length and velocity matrices are evaluated in pair-coupling. These quantities are stored on magnetic tape or disc files to be used by RMATRX STG3R. Versions of this program held in the CPC repository in Mendeley Data aanu_v1_0; RMATRX RECUD; 10.1016/0010-4655(82)90076-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.26302/sshade/experiment_op_20180717_002
title: Cu K edge XAS HERFD (Kalpha1) of CuSO4.n(H2O) at ambient conditions
DOI: 10.17632/677sj274xy.1
title: A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method

description: Title of program: RMATRX STG2R Catalogue Id: AANS_v1_0 Nature of problem The program reads the radial integrals stored on a magnetic tape or disc file by RMATRX STG1R. It then calculates the Hamiltonian matrix, the asymptotic potential coefficients and dipole length and velocity matrices. These quantities are stored on magnetic tapes or disc files for use by RMATRX STG3R or RMATRX RECUP and RMATRX RECUD. Versions of this program held in the CPC repository in Mendeley Data aans_v1_0; RMATRX STG2R; 10.1016/0010-4655(82)90076-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/998z269f72.1
title: ILUBCG2: A preconditioned biconjugate gradient routine for the solution of linear asymmetric matrix equations arising from 9-point discretizations

description: Title of program: ILUBCG2 Catalogue Id: AALX_v1_0 Nature of problem Certain elliptic and parabolic partial differential equations that arise in plasma physics and other applications are solved in two dimensions. The implicit solution techniques used for these equations give rise to a system of linear equations whose matrix operator is sparse - often 9-banded - and generally asymmetric. We provide a fast algorithm for their solution. ADAPTATION SUMMARY: Vol:Year:Page 55:1989:359 "0001ILUBCG2-11" "ILUBCG2-11: solution of 11-banded nonsymmetric linear equati ... Note: adaptation instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AALX_v1_0; ILUBCG2; 10.1016/0010-4655(87)90213-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/hjc5myykvz.1
title: RDLIST, a portable namelist facility

description: Title of program: RDLIST AND PREPROCESSOR MAKEDATA Catalogue Id: AANJ_v1_0 Nature of problem Programs often work by setting defaults and requiring users to change only a few of the parameters. The IBM Fortran NAMELIST facility is very convenient for this, allowing as it does the use of Fortran variable names in the input. The difficulty is that NAMELIST is not generally available. The problem is to write a portable Fortran replacement for NAMELIST. Versions of this program held in the CPC repository in Mendeley Data AANJ_v1_0; RDLIST AND PREPROCESSOR MAKEDATA; 10.1016/0010-4655(81)90137-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)