cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/dxgvbyzm4p.1
title: Data for: MEASUREMENT OF APPARENT MECHANICAL PROPERTIES OF TRABECULAR BONE TISSUE: ACCURACY AND LIMITATION OF DIGITAL IMAGE CORRELATION TECHNIQUE

description: Two datasets, contained in this websites, are collected on specimen No 10: &gt; a dataset collected from DIC system - file series named using the following pattern: Acciaioli_Spec_No_10_1st_series_DIC_"ORD"_repetition_Gen_"SIDE"_Stage_"N".txt where -ORD is the ordinal number for the repetition. It varies from the 1st to the 8th; -SIDE is the target generatrix of the two cameras. It can take the value 0 or 180; -N is load stage number. It varies from 0 (undeformed reference stage) to 6 or 7 (final deformation stage). &gt; a dataset collected from two extensometers - file series named using the following pattern: Acciaioli_Spec_No_10_2nd_series_EXT_"ORD"_repetition_data.csv where -ORD is the ordinal number for the repetition. It varies from the 1st to the 8th. DIC raw data are arranged in columns, starting from the 6th row. Each row refers to a subset. There are six values in each row. The first three values are the x, y and z coordinates of the subset in the undeformed reference stage (stage 0), whereas, the last three x’, y’ and z’ coordinates are in the current load stage (stage N). The load values of the undeformed reference stage and current stage are reported in the 2nd and 3rd cell of load (third) line, respectively. Additionally, the file: Acciaioli_Coordinate_reference_system_for_DIC_data.jpg shows the coordinate reference system used, in which two nominal levels represents the knife edges of the extensometer attached to the specimen surface. The virtual extensometer was created between these two levels. Therefore, the current vertical positions of upper and lower knife edge was calculated for each stage, as well as the distance between the two arms of the virtual extensometer. These three values are reported in the 5th, 6th and 7th cell of third line of each file named using the following pattern: Acciaioli_Spec_No_10_1st_series_DIC_"ORD"_repetition_Gen_"SIDE"_Stage_"N"_processed_data.txt Load level values and the distance between the two arms of the virtual extensometer are reported in the self-explanatory file: Acciaioli_Spec_No_10_1st_series_DIC_data_processing.xls where we described the sequence of operations performed to calculate EappDIC values. Moving to the extensometer technique (.csv files), strain values measured by two extensometers are coupled with stress values. Indeed, there are three values in each row. The first value is the stress value in MPa. The second and third values are collected on two opposite generatrices (0-180° or 90-270°) simultaneously. Stress and strain values were reported in the self-explanatory file: Acciaioli_Spec_No_10_2nd_series_EXT_data_processing.xls where the sequence of operations performed, was described to calculate EappEXT values. Final note: all these files were created for explanatory purposes. Two Matlab codes have been created to calculate EappDIC and EappEXT values by automatic processing of experimental data.
DOI: 10.17632/hw63dghy8r.1
title: Colour coordinate calculations

description: Title of program: COLOUR COORDINATE CALCULATIONS Catalogue Id: ACWA_v1_0 Nature of problem The two subroutines CHROME and CRODAT described in this paper can be used in conjunction to perform two tasks which arise in colorimetry. The first is to calculate the colour of a light source from its given spectral energy distribution. The second is to calculate the dominant wave-length and purity of a colour from its chromaticity coordinates. Versions of this program held in the CPC repository in Mendeley Data ACWA_v1_0; COLOUR COORDINATE CALCULATIONS; 10.1016/0010-4655(75)90082-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/m8ky796svn.1
title: A finite element program package for axisymmetric scalar field problems.

description: Title of program: GENERATE Catalogue Id: ACSD_v1_0 Nature of problem This program reads in the finite element matrices in integer form and punches out a complete block data subprogram containing these matrices in Z-format. The latter is an IBM Fortran IV G feature which is convenient for compressing vast amount of numerical data. Users of theAXISYMM-SCALAR-HELMHOLTZ-FINTEL 4 AND AXISYMM-SCALAR-HELM- HOLTZ-FINTEL 6 finite element programs (CPC catalogue numbers ACSB and ACSC) who are using computers other than the IBM 360 or 370 series, will have to modify GENERAT... Versions of this program held in the CPC repository in Mendeley Data ACSD_v1_0; GENERATE; 10.1016/0010-4655(73)90081-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/r3z8hmkgcf.1
title: WPHACT 1.0 — A program for WW, Higgs and four-ferminon physics at e + e − colliders

description: Abstract WPHACT (W W and Higgs Physics with PHACT) is a MC program and unweighted event generator which computes all Standard Model processes with four fermions in the final state at e^+ e^-colliders. It is based on an helicity amplitude method which allows precise and fast evaluations of the matrix elements both for massless and massive fermions. Fermion masses for b quarks are exactly taken into account. QED initial state and Coulomb corrections are evaluated, while QCD final state corrections are... Title of program: WPHACT Catalogue Id: ADEN_v1_0 Nature of problem The forthcoming experiments at the high energy electron-positron collider LEP2 will be mainly concerned with WW physics and Higgs search. The production of two W's will allow the direct study of the triple- boson coupling and a precise measurement of the mass of the W. The search for the Higgs is of primary importance for understanding the problem of mass generation in the Standard Model (SM). Small deviations from the SM will be important for discovering possible new physics. Both WW and Higgs ... Versions of this program held in the CPC repository in Mendeley Data ADEN_v2_0; WPHACT, version 2.0; 10.1016/S0010-4655(02)00685-9 ADEN_v1_0; WPHACT; 10.1016/S0010-4655(96)00124-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/v6kh87zmfw.1
title: Implementation of a fast box-counting algorithm

description: Abstract We briefly summarize a previously published fast box-counting algorithm for computing the box-count fractal dimension, and adapt it to provide more points on the box-count versus box-size curve. We then present a C language implementation of the algorithm that consists of a routine called boxcount. It uses a flexible memory-addressing scheme that makes it suitable for analyzing multidimensional data, as well as analyzing time-series data efficiently with different embedding dimensions. A stan... Title of program: boxcount and boxdim Catalogue Id: ADDW_v1_0 Nature of problem Numerical estimation of the fractal dimension of time series and multidimensional data. Versions of this program held in the CPC repository in Mendeley Data ADDW_v1_0; boxcount and boxdim; 10.1016/0010-4655(96)00080-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/zyvtb8kpp7.1
title: Multidimensional automatic integrator (MDAI) — An efficient routine for automatic integration of functions of many variables

description: Title of program: MDAI Catalogue Id: ACUI_v1_0 Nature of problem Calculation of multidimensional integrals of quantum physics, quantum chemistry, etc.; for example calculation of the single particle overlap integrals, matrix elements of the many body Hamiltonian. Versions of this program held in the CPC repository in Mendeley Data ACUI_v1_0; MDAI; 10.1016/0010-4655(84)90077-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/87rhkfgxtp.1
title: MORPHY, a program for an automated “atoms in molecules” analysis

description: Abstract The operating manual for a structured FORTAN 77 program called MORPHY is presented. This code performs an automated topological analysis of a molecular electron density and its Laplacian. The program is written in a stylistically homogeneous, transparant and modular manner. The input is compact but flexible and allows for multiple jobs in one deck. The output is detailed and has an attractive lay-out. Critical points in the charge density and its Laplacian can be located in a robust and econo... Title of program: MORPHY Catalogue Id: ADCJ_v1_0 Nature of problem Topological Analysis. Versions of this program held in the CPC repository in Mendeley Data ADCJ_v1_0; MORPHY; 10.1016/0010-4655(95)00113-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/gs3jt9sshg.1
title: Fractional parentage coefficients for equivalent f shell electrons

description: Title of program: F SHELL C.F.P. Catalogue Id: ACRY_v1_0 Nature of problem The CFPF package evaluates the Racah coefficients of fractional parentage for equivalent f shell electrons. Versions of this program held in the CPC repository in Mendeley Data ACRY_v1_0; F SHELL C.F.P.; 10.1016/0010-4655(74)90100-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/j6nfh667gh.1
title: Integral approximants

description: Abstract The approximation problem for multivalued functions on the complex plane is discussed. A sub-class of Hermite-Padé approximants is defined and the supporting theory is developed, inspired by the Riemann monodromy theorem. It is plausibly shown that the method can resolve confluent singularities. The application of the method tested on realistic series gives promises for the method. Title of program: IA Catalogue Id: ADEH_v1_0 Nature of problem We present a novel method of approximating multivalued functions on multiple Riemann sheets, defined by a finite number of coeficients in a power series expansion. The application of the method on realistic series gives promises for the method. The Fortran program is described in some details. Versions of this program held in the CPC repository in Mendeley Data ADEH_v1_0; IA; 10.1016/S0010-4655(96)00111-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/tj5jk8mt8k.1
title: A FORTRAN code for the scattering of EM waves by a sphere with a nonconcentric spherical inclusion

description: Abstract We present a FORTRAN code for the scattering of an electromagnetic plane wave from an eccentrically placed sphere located within another sphere. This program calculates the Mueller scattering matrix elements, S_(ij), the extinction, scattering, and absorption efficiencies and the asymmetry parameter. The incident angle of the incoming plane wave, the free space wavelength, the radii, indices of refraction, and the distance of separation between the centers of the two spheres are all arbitra... Title of program: inclusion Catalogue Id: ADEI_v1_0 Nature of problem This program calculates the Mueller scattering matrix (Sij), the extinction, scattering and absorption efficiencies and the asymmetry parameter for a set of initial inputs describing a sphere embedded within another sphere. The inputs are read from an input file and the output is written to an output file. Versions of this program held in the CPC repository in Mendeley Data ADEI_v1_0; inclusion; 10.1016/S0010-4655(96)00109-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/v74f79vy5x.1
title: SRLOG, the simultaneous standardization of 90Sr+90Y+89Sr mixtures

description: Abstract A program is presented that permits the simultaneous standardization of the three-nuclide mixture ^(90)Sr+^(90)Y +^(89)Sr in liquid-scintillation spectrometers with logarithmic pulse-height spectra outputs. The application of a new spectrum interpolation method permits one to obtain the spectral shape of each component for the quench value of the mixture while the standardization of the separated components is achieved by the CIEMAT/NIST tracing method. Title of program: SRLOG Catalogue Id: ACTY_v1_0 Nature of problem 89Sr and 90Sr are fission products, which receive considerable attention in security programmes of nuclear power stations. The radiostrontiums can be easily isolated from other radioactive isotopes by using cation exchange columns. However, 90Sr decays to its daughter 90Y, which transforms the mixture in a three-nuclide problem: 90Sr+90Y+89Sr. Versions of this program held in the CPC repository in Mendeley Data ACTY_v1_0; SRLOG; 10.1016/0010-4655(94)90127-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/668rfbvf6c.1
title: Nonreactive atom/molecule-surface scattering within the finite basis wave packet method

description: Abstract A quantum wave packet code for studying nonreactive scattering of closed-shell atoms or diatomic molecules from a rigid surface is described. The time evolution relies on the Chebychev propagator. Up to 5 collider degrees of freedom, 3 in translation and 2 in rotation, are treated in a pseudospectral way with the momentum or finite basis representation as the primary space. Potential matrix elements are efficiently evaluated by means of sequential 1D transformations between momentum and coord... Title of program: FBWPSURF Catalogue Id: ADDR_v1_0 Nature of problem The scattering matrix and transition probabilities are computed for the nonreactive collisions of closed-shell atoms or diatomic molecules with a rigid surface. The inelastic channels which are considered are the diffractive scattering and the rotational (de-) excitation for a diatomic collider. The surface unit cell has the general form of a parallelogram. One may appropriately reduce the dimensionality by defining either a 1D vs a 2D corrugation or a flat surface. Versions of this program held in the CPC repository in Mendeley Data ADDR_v1_0; FBWPSURF; 10.1016/0010-4655(96)00064-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/kkc538h3zd.1
title: ZhŭKè: a vibrationally-adiabatic impulsive dissociation model

description: Abstract The final fragment energy distribution in fast photodissociation reactions is often close to an impulsive limit since there is little time for intramolecular vibrational relaxation to occur. The computer program ZhŭKè implements a new vibrationally-adiabatic impulsive dissociation model [K.F. Lim, in: IQEC '96 Technical Digest (Optical Soc. of America, 1996), paper WL117], in which holonomic constraints are used to decouple vibrations from the dissociation reaction coordinate. Final photofrag... Title of program: ZHUKE Catalogue Id: ADDP_v1_0 Nature of problem The final fragment energy distribution in fast photodissociation reactions is often close to an impulsive limit since there is little time for intramolecular vibrational relaxation to occur. Versions of this program held in the CPC repository in Mendeley Data ADDP_v1_0; ZHUKE; 10.1016/0010-4655(96)00059-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/npn4ky8zsf.1
title: Self-consistent solution to a complex fermion determinant with space dependent fields

description: Abstract A numerical routine is provided which allows to compute and minimize a mesonic energy functional involving a complex fermion determinant. The energy functional is evaluated by summing over the real and imaginary parts of the eigenvalues of a non-Hermitian one-particle Dirac Hamiltonian. In order to minimize the energy functional the corresponding eigenfunctions are used to set up the equations of motion for the meson fields. Iteration of these equations yields the self-consistent configuratio... Title of program: vecscal Catalogue Id: ACVB_v1_0 Nature of problem Quark fields are integrated out from a generalized Nambu-Jona-Lasinio model yielding a complex functional determinant which involves composite meson fields. This determinant is evaluated for static but space- dependent meson field configurations. The configuration which minimizes the corresponding energy functional is constructed. Versions of this program held in the CPC repository in Mendeley Data ACVB_v1_0; vecscal; 10.1016/0010-4655(94)90130-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/srjgry4fjf.1
title: ISICS2011, an updated version of ISICS: A program for calculation K-, L-, and M-shell cross sections from PWBA and ECPSSR theories using a personal computer

description: Abstract In this new version of ISICS, called ISICS2011, a few omissions and incorrect entries in the built-in file of electron binding energies have been corrected; operational situations leading to un-physical behavior have been identified and flagged. Title of program: ISICS2011 Catalogue Id: ADDS_v5_0.tar Nature of problem Ionization and x-ray production cross section calculations for ion-atom collisions. Versions of this program held in the CPC repository in Mendeley Data adds_v1_0.gz; ISICS; 10.1016/0010-4655(96)00068-9 adds_v1_1.tar; ISICS2011 and predecessor versions.; 10.1016/j.cpc.2013.02.017 adds_v2_0.tar; ISICS; 10.1016/j.cpc.2006.08.004 adds_v2_1.tar; ISICS2011 and predecessor versions.; 10.1016/j.cpc.2013.02.017 adds_v3_0.tar; ISICS; 10.1016/j.cpc.2008.06.003 adds_v3_1.tar; ISICS2011 and predecessor versions.; 10.1016/j.cpc.2013.02.017 adds_v4_0.tar; ISICS2008; 10.1016/j.cpc.2009.04.019 adds_v4_1.tar; ISICS2011 and predecessor versions.; 10.1016/j.cpc.2013.02.017 adds_v5_0.tar; ISICS2011; 10.1016/j.cpc.2011.06.004 adds_v5_1.tar; ISICS2011 and predecessor versions.; 10.1016/j.cpc.2013.02.017 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/tdct92rskg.1
title: A user's guide to fortran programs for Wigner and Racah coefficients of SU3

description: Title of program: SU3 WIGNER & RACAH COEFFICENTS Catalogue Id: ACRM_v1_0 Nature of problem SU3 contains SU2 X U1 and SU3 contains R3 Wigner coefficients as well as SU3 Racah coefficients are calculated for arbitrary couplings and multiplicity. Versions of this program held in the CPC repository in Mendeley Data ACRM_v1_0; SU3 WIGNER & RACAH COEFFICENTS; 10.1016/0010-4655(73)90077-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/bfmh8pmnsm.1
title: Force calculation and atomic-structure optimization for the full-potential linearized augmented plane-wave code WIEN

description: Abstract Following the approach of Yu, Singh, and Krakauer [Phys. Rev. B 43 (1991) 641], we extended the linearized augmented plane wave code WIEN of Blaha, Schwarz, and coworkers by the evaluation of forces. In this paper we describe the approach, demonstrate the high accuracy of the force calculation, and use them for an efficient geometry optimization of poly-atomic systems. Title of program: fhi95force Catalogue Id: ADCW_v1_0 Nature of problem For ab-initio studies of the electronic and magnetic properties of poly- atomic systems, such as molecules, crystals and surfaces, it is of paramount importance to determine stable and metastable atomic geometries. This task of structure optimization is greatly accelerated and, in fact, often only feasible if the forces acting on the atoms are known. The computer code described in this article enables such calculations. Versions of this program held in the CPC repository in Mendeley Data ADCW_v1_0; fhi95force; 10.1016/0010-4655(95)00139-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/cdh75prr2b.1
title: A fixed core Hartree-Fock program for calculating bound and continuum orbitals

description: Title of program: FIXED CORE HARTREE-FOCK Catalogue Id: ACRX_v1_0 Nature of problem Numerical fixed core or frozen core Hartree-Fock results are determined for one bound or continuum orbital of an atom. Versions of this program held in the CPC repository in Mendeley Data ACRX_v1_0; FIXED CORE HARTREE-FOCK; 10.1016/0010-4655(74)90098-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/chv6fhvck2.1
title: Numerical solution of the radical schrödinger equation

description: Title of program: SCHROD Catalogue Id: ACQZ_v1_0 Nature of problem The subroutine SCHR solves the radial Schrodinger equation using a logarithmic mesh without transforming the independent variable. It is applicable in problems where a smooth expansion of the scale near the origin is advantageous. Versions of this program held in the CPC repository in Mendeley Data ACQZ_v1_0; SCHROD; 10.1016/0010-4655(72)90082-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/p467vfcb8j.1
title: SCATTAMPDIAMOL — A program to calculate scattering amplitudes for electron scattering from state selected rotating diatomic molecules

description: Abstract The present program package computes the scattering amplitudes for electron frattering from state selected rotating diatomic molecules from the corresponding fixed-nuclei T-matrices within the adiabatic approximation. The program is written in FORTRAN 77. Title of program: SCATTAMPDIAMOL Catalogue Id: ACVE_v1_0 Versions of this program held in the CPC repository in Mendeley Data ACVE_v1_0; SCATTAMPDIAMOL; 10.1016/0010-4655(94)90171-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/3j2xcy5k4y.1
title: Computer-assisted analysis of singlet-triplet rotational spectra: application to case (A), case (B) and case (AB) coupling cases in polyatomic molecules

description: Abstract A non-graphical, character-based computer program for the least-squares analysis of the high-resolution rotational spectra of singlet-triplet transitions in orthorhombic molecules has been developed under the ANSI C programming language. The program is applicable to molecules which show either Hund's case (A) or case (B) or case (AB) type splittings. Up to 22 rotational, spin, centrifugal distortion and spin-centrifugal distortion constants may be varied. Only constants of the excited state m... Title of program: STROTAB Catalogue Id: ADCA_v1_0 Nature of problem The rotational analysis of the singlet-triplet electronic spectra of orthorhombic polyatomic molecules has hitherto been restricted to molecules which follow case (B) coupling [1,2]. A more general program is required to analyze spectra of molecules which exhibit case (A), case (AB) or case (B) coupling in the triplet state. Versions of this program held in the CPC repository in Mendeley Data ADCA_v1_0; STROTAB; 10.1016/0010-4655(95)00087-9 ADCA_v2_0; STROTAB version number: 2; 10.1016/j.cpc.2007.02.094 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)