cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/wvcvxk7ykn.1
title: Two dimensional fast Fourier transform for large data matrices

description: Abstract Most of the commonly used fast Fourier transform subroutines can not handle large data matrices because of the restriction imposed by the system's core memory. In this paper we present a two dimensional FFT program (SW2DFFT) and its long write-up. SW2DFFT is a Fortran program capable of handling large data matrices both square and rectangular. The data matrix is stored externally in a direct access mass storage. The program uses a stepwise approach in computing the large matrices based on the... Title of program: SW2DFFT Catalogue Id: ABFB_v1_0 Nature of problem Any problem that requires Fourier Transformation of a large 2-D data matrix. Versions of this program held in the CPC repository in Mendeley Data ABFB_v1_0; SW2DFFT; 10.1016/0010-4655(89)90108-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/xtjyc7y23s.1
title: PERTURB: A program for calculating vibrational energies by generalized algebraic quantization

description: Abstract We describe PERTURB, a special purpose algebraic manipulation program which calculates vibrational eigenvalues in coupled oscillator systems. PERTURB implements the method of generalized algebraic quantization (AQ), in which Van Vleck perturbation theory is formulated in a mock phase space. The phase space formulation enables quantum and classical perturbation theory to be treated on the same footing, and allows the systematic calculation of corrections to classical perturbation results in po... Title of program: PERTURB Catalogue Id: ABDN_v1_0 Nature of problem PERTURB calculates energy eigenvalues for a set of coupled harmonic oscillators. Versions of this program held in the CPC repository in Mendeley Data ABDN_v1_0; PERTURB; 10.1016/0010-4655(88)90065-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.21227/17ka-a073
title: Experimental Data for Metacognitive Skills

description: The increasing student’s enrollment, the cost ofeducation and the need to make learning resources accessibleany time at anywhere are propelling educational institutions todevelop a pedagogical framework to support in-class activitieswith online learning courses. Moreover, the increasing deploymentof skilled-based courses on online learning environmentoccasioned by the advancement of smart and wireless technologyboth in formal and informal paradigm means that there is a needto develop effective ways to support online learning paradigm.The transformation system brought by advancement in smarttechnologies can provide a learning environment that can supportonline learning process. The self-regulated learning process hasbeen identified as one of the effective ways of supportingonline process. The smart learning environment can be designedand developed to support self-regulated learning process. Themetacognitive skills such as goal setting, time management, helpseeking,task strategy and self-evaluation can be developed insmart learning environment to provide skills enhancement tosupport online learning process. Earlier, we developed artificialneural network (ANN)-based learning agent to support the developmentof smart learning environment support online learning.However, to test our approach, there is a lack of dataset toimplement the applicability of our methodology. In this guidingnote, we present the process of generating the dataset, the trainingand testing process how, and the trained weights of the datasetcan be used for predicting students’ learning style that cantrigger recommendations based on the behaviour of the student inonline learning environment. This dataset is randomly generatedsimulating the response of students; there are possibilities thatusing the dataset in similar purposes in future work could resultin different outcomes and this we consider a limitation of thedataset.
DOI: 10.17632/2gw2tz7hrp.1
title: An algebraic program for the states associated with the U(5) ⊃ O(5) ⊃ O(3) chain of groups

description: Abstract A REDUCE program is presented that calculates algebraically the γ-dependent part of the states associated with the U(5) ⊃ O(5) ⊃ O(3) chain of groups, familiar from nuclear-structure problems. The method of solution is a direct implementation of the analytic expressions given by Chacón and Moshinsky. Title of program: PHISYM Catalogue Id: ABFN_v1_0 Nature of problem Group theoretical ideas and, in particular, states associated with the U(5) include O(5) include O(3) chain of groups are widely used to describe properties of nuclei, both within the framework of the Interacting Boson Approximation and of the geometric collective models of the Frankfurt group. Among the many processes and properties this chain has been applied to, prominent are the low-energy nuclear spectra, Coulomb excitation and medium-energy proton scattering, and the photoabsorption of the ... Versions of this program held in the CPC repository in Mendeley Data ABFN_v1_0; PHISYM; 10.1016/0010-4655(88)90175-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/6r5mpwyn9b.1
title: MsSpec-1.0: A multiple scattering package for electron spectroscopies in material science

description: Abstract We present a multiple scattering package to calculate the cross-section of various spectroscopies namely photoelectron diffraction (PED), Auger electron diffraction (AED), X-ray absorption (XAS), low-energy electron diffraction (LEED) and Auger photoelectron coincidence spectroscopy (APECS). This package is composed of three main codes, computing respectively the cluster, the potential and the cross-section. In the latter case, in order to cover a range of energies as wide as possible, three ... Title of program: MsSpec-1.0 Catalogue Id: AEJT_v1_0 Nature of problem Calculation of the cross-section of various spectroscopies Versions of this program held in the CPC repository in Mendeley Data AEJT_v1_0; MsSpec-1.0; 10.1016/j.cpc.2011.07.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/7z2m3ctdy4.1
title: EBEGA — the counting efficiency of a beta-gamma emitter in liquid scintillators

description: Abstract A program is described which computes the counting efficiency of a beta-gamma ray emitter as function of the figure of merit in liquid scintillation systems. A Monte Carlo scheme is used to simulate the gamma-ray interaction with a toluene-based scintillator. The results are valid for systems with two photomultipliers working in coincidence. Title of program: EBEGA Catalogue Id: ABDK_v1_0 Nature of problem This program computes the counting efficiency of a beta-gamma ray emitter as a function of the figure of merit in liquid scintillators. Versions of this program held in the CPC repository in Mendeley Data ABDK_v1_0; EBEGA; 10.1016/0010-4655(88)90187-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/9p2zp6tx8w.1
title: m s 2 : A molecular simulation tool for thermodynamic properties, new version release

description: Abstract A new version release (2.0) of the molecular simulation tool ms2 [S. Deublein et al., Comput. Phys. Commun. 182 (2011) 2350] is presented. Version 2.0 of ms2 features a hybrid parallelization based on MPI and OpenMP for molecular dynamics simulation to achieve higher scalability. Furthermore, the formalism by Lustig [R. Lustig, Mol. Phys. 110 (2012) 3041] is implemented, allowing for a systematic sampling of Massieu potential derivatives in a single simulation run. Moreover, the Green–Kubo fo... Title of program: <i>ms</i>2 Catalogue Id: AEJF_v2_0 Nature of problem Calculation of application oriented thermodynamic properties for rigid molecules: vaporliquid equilibria of pure fluids and multi-component mixtures, thermal and caloric data as well as transport properties. Versions of this program held in the CPC repository in Mendeley Data AEJF_v1_0; <i>ms</i>2; 10.1016/j.cpc.2011.04.026 AEJF_v2_0; <i>ms</i>2; 10.1016/j.cpc.2014.07.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/crn4529fkn.1
title: A program for confidence interval calculations for a Poisson process with background including systematic uncertainties: POLE 1.0

description: Abstract A Fortran 77 routine has been developed to calculate confidence intervals with and without systematic uncertainties using a frequentist confidence interval construction with a Bayesian treatment of the systematic uncertainties. The routine can account for systematic uncertainties in the background prediction and signal/background efficiencies. The uncertainties may be separately parametrized by a Gauss, log-normal or flat probability density function (PDF), though since a Monte Carlo approach... Title of program: pole version 1.0 Catalogue Id: ADTA_v1_0 Nature of problem The problem is to calculate a frequentist confidence interval on the parameter of a Poisson process with known background in the presence of systematic uncertainties in experimental parameters such as signal efficiency or background prediction. Versions of this program held in the CPC repository in Mendeley Data ADTA_v1_0; pole version 1.0; 10.1016/j.cpc.2003.12.002 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/fnnx8rn4g2.1
title: JaxoDraw: A graphical user interface for drawing Feynman diagrams

description: Abstract JaxoDraw is a Feynman graph plotting tool written in Java. It has a complete graphical user interface that allows all actions to be carried out via mouse click-and-drag operations in a WYSIWYG fashion. Graphs may be exported to postscript/EPS format and can be saved in XML files to be used for later sessions. One of JaxoDraw's main features is the possibility to create code that may be used to generate graphics output, thus combining the powers of with those of a modern day drawing ... Title of program: JaxoDraw Catalogue Id: ADUA_v1_0 Nature of problem Existing methods for drawing Feynman diagrams usually require some "hard-coding" in one or other programming or scripting language. It is not very convenient and is often time consuming, to generate relatively simple diagrams. Versions of this program held in the CPC repository in Mendeley Data ADUA_v1_0; JaxoDraw; 10.1016/j.cpc.2004.05.001 ADUA_v2_0; JaxoDraw; 10.1016/j.cpc.2009.02.020 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/r8n3g9dwyy.1
title: Ion–Atom/Argon—Calculation of ionization cross sections by fast ion impact for neutral target atoms ranging from hydrogen to argon

description: Abstract A FORTRAN 90 program is presented which calculates the total cross sections, and the electron energy spectra of the singly and doubly differential cross sections for the single target ionization of neutral atoms ranging from hydrogen up to and including argon. The code is applicable for the case of both high and low Z projectile impact in fast ion–atom collisions. The theoretical models provided for the program user are based on two quantum mechanical approximations which have proved to be ve... Title of program: ARGON Catalogue Id: ADSE_v1_0 Nature of problem The code calculates total and differential cross sections for the single ionization of target atoms ranging from hydrogen up to and including argon by both light and heavy ion impact. Versions of this program held in the CPC repository in Mendeley Data ADSE_v1_0; ARGON; 10.1016/S0010-4655(03)00342-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/rfw2pcpg9v.1
title: Determination of potential energy surfaces of linear triatomics from vibration-rotation spectra: An inversion method applied to CO2

description: Abstract An inversion procedure for obtaining a local stretching/bending three-mode potential for the CO_2molecule is outlined, and a FORTRAN program for implementing this procedure is presented. The technique is a general one, and should be applicable to any small molecule for which adequate vibration/rotation spectroscopic data are available. The potential surface is obtained in two steps: first, an approximate surface is obtained using the vibrational self-consistent-field scheme to generalize th... Title of program: RKRINV Catalogue Id: ABDR_v1_0 Nature of problem The inversion of vibrational-rotational energies to obtain potential energy surface for polyatomic molecule is described. The method described is the first non-fitting one which gives unique potential surface from experimental data. Versions of this program held in the CPC repository in Mendeley Data ABDR_v1_0; RKRINV; 10.1016/0010-4655(88)90069-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/rsrmr8tnyk.1
title: DIRAC: A new version of computer algebra tools for studying the properties and behavior of hydrogen-like ions

description: Abstract During recent years, the Dirac package has proved to be an efficient tool for studying the structural properties and dynamic behavior of hydrogen-like ions. Originally designed as a set of Maple procedures, this package provides interactive access to the wave and Green's functions in the non-relativistic and relativistic frameworks and supports analytical evaluation of a large number of radial integrals that are required for the construction of transition amplitudes and interaction cross sect... Title of program: DIRAC Catalogue Id: ADUQ_v2_0 Nature of problem Since the early days of quantum mechanics, the "hydrogen atom" has served as one of the key models for studying the structure and dynamics of various quantum systems. Its analytic solutions are frequently used in case studies in atomic and molecular physics, quantum optics, plasma physics, or even in the field of quantum information and computation. Fast and reliable access to functions and properties of the hydrogenic systems are frequently required, in both the non-relativistic and relativisti ... Versions of this program held in the CPC repository in Mendeley Data ADUQ_v1_0; DIRAC; 10.1016/j.cpc.2004.09.004 ADUQ_v2_0; DIRAC; 10.1016/j.cpc.2009.11.010 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/y76vrhz5hn.1
title: W physics at the LHC with FEWZ 2.1

description: Abstract We present an updated version of the FEWZ (Fully Exclusive W and Z production) code for the calculation of ^(W±)and ^(γ*)Z production at next-to-next-to-leading order in the strong coupling. Several new features and observables are introduced, and an order-of-magnitude speed improvement over the performance of FEWZ 2.0 is demonstrated. New phenomenological results for ^(W±)production and comparisons with LHC data are presented, and used to illustrate the range of physics studies possi... Title of program: FEWZ 2.1 Catalogue Id: AEJP_v1_1 Nature of problem Calculation of hadroproduction of W bosons, with differential distributions, at next-to-next-to-leading order in the strong coupling. Versions of this program held in the CPC repository in Mendeley Data AEJP_v1_0; FEWZ; 10.1016/j.cpc.2011.06.008 AEJP_v1_1; FEWZ 2.1; 10.1016/j.cpc.2012.09.005 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/252cxm5jtw.1
title: Resonant coherent excitation of hydrogen-like ions planar channeled in a crystal; Transition into the first excited state

description: Abstract The presented program is designed to simulate the characteristics of resonant coherent excitation of hydrogen-like ions planar-channeled in a crystal. The program realizes the numerical algorithm to solve the Schrödinger equation for the ion-bound electron at a special resonance excitation condition. The calculated wave function of the bound electron defines probabilities for the ion to be in the either ground or first excited state, or to be ionized. Finally, in the outgoing beam the fractio... Title of program: RCE_H-like_1 Catalogue Id: AEKX_v1_0 Nature of problem When relativistic hydrogen-like ion moves in the crystal in the planar channeling regime, in the ion rest frame the time-periodic electric field acts on the bound electron. If the frequency of this field matches the transition frequency between electronic energy levels, the resonant coherent excitation can take place. Therefore, ions in the different states may be observed in the outgoing beam behind the crystal. To get the probabilities for the ion to be in the ground state or in the first exci ... Versions of this program held in the CPC repository in Mendeley Data AEKX_v1_0; RCE_H-like_1; 10.1016/j.cpc.2011.11.009 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/329fxb9zn7.1
title: Subroutines for some plasma surface interaction processes: physical sputtering, chemical erosion, radiation enhanced sublimation, backscattering and thermal evaporation

description: Abstract A suite of FORTRAN subroutines/functions to generate data using empirical formulas for physical sputtering of mono-atomic targets for any elemental incident ion (atom), chemical erosion of graphite, Radiation Enhanced Sublimation (RES) of graphite, the number and energy backscattering coefficients for any elemental incident ion (atom) on a compound target and thermal evaporation of graphite is presented. Since chemical erosion, RES and thermal evaporation depend on the surface temperature of ... Title of program: Plasma Surface Interaction Codes (PSIC) Catalogue Id: ADTR_v1_0 Nature of problem 0-D plasma surface interaction model used to demonstrate calls to subroutines for physical sputtering yield, chemical erosion yield of graphite, RES of graphite, backscattering coefficients, thermal evaporation of graphite and 1-D heat diffusion in graphite. Versions of this program held in the CPC repository in Mendeley Data ADTR_v1_0; Plasma Surface Interaction Codes (PSIC); 10.1016/j.cpc.2004.02.011 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/3rtmssy6w4.1
title: An extension of the computer program for dynamical calculations of RHEED intensity oscillations. Heterostructures

description: Abstract A practical computing algorithm working in real time has been developed for calculations of the reflection high-energy electron diffraction from the molecular beam epitaxy growing surface. The calculations are based on a dynamical diffraction theory in which the electrons are scattered on a potential, which is periodic in the direction perpendicular to the surface. Title of program: RHEED_v2 Catalogue Id: ADUY_v1_1 Nature of problem Reflection high-energy electron diffraction (RHEED) is a very useful technique for studying the growth and the surface analysis of thin epitaxial structures prepared by the molecular beam epitaxy (MBE). The RHEED technique can reveal, almost instantaneously, changes either in the coverage of the sample surface by adsorbates or in the surface structure of a thin film. Versions of this program held in the CPC repository in Mendeley Data ADUY_v1_0; RHEED; 10.1016/j.cpc.2004.12.001 ADUY_v1_1; RHEED_v2; 10.1016/j.cpc.2006.08.003 ADUY_v2_0; RHEEDGr; 10.1016/j.cpc.2005.09.004 ADUY_v3_0; RHEEDGR-09; 10.1016/j.cpc.2009.07.003 ADUY_v4_0; RHEED1DProcess; 10.1016/j.cpc.2009.11.009 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/d2sk97s5rb.1
title: Design and implementation of a scene-dependent dynamically selfadaptable wavefront coding imaging system

description: Abstract A computational imaging system based on wavefront coding is presented. Wavefront coding provides an extension of the depth-of-field at the expense of a slight reduction of image quality. This trade-off results from the amount of coding used. By using spatial light modulators, a flexible coding is achieved which permits it to be increased or decreased as needed. In this paper a computational method is proposed for evaluating the output of a wavefront coding imaging system equipped with a spati... Title of program: DynWFC (Dynamic WaveFront Coding) Catalogue Id: AEKC_v1_0 Nature of problem The program implements an enhanced wavefront coding imaging system able to adapt the degree of coding to the requirements of a specific scene. The program controls the acquisition by a camera, the display of a spatial light modulator and the image processing operations synchronously. The spatial light modulator is used to implement the phase mask with flexibility given the trade-off between depth-of-field extension and image quality achieved. The action of the program is to evaluate the depth-of ... Versions of this program held in the CPC repository in Mendeley Data AEKC_v1_0; DynWFC (Dynamic WaveFront Coding); 10.1016/j.cpc.2011.08.004 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/ft5syysnmf.1
title: Title — Solution of bound state single variable eigenproblems by the extended renormalized Numerov method

description: Abstract A Microsoft FORTRAN-77 program is presented which solves second order differential equations of the form [A(x) d^2dx^2+ B(x) d dx]ψ(x) = [V(x) - E]ψ(x) for a variety of boundary conditions. The user specifies A(x), B(x) and V(x) beforehand and choses the appropriate boundary conditions from a menu. Title of program: NUMROV Catalogue Id: ABDW_v1_0 Nature of problem Analysis of models of large amplitude molecular vibration leads to a set of single variable bound state second order differential eigenvalue problems of quite varied form and satisfying a variety of boundary conditions. These equations cannot in general be solved analytically. Versions of this program held in the CPC repository in Mendeley Data ABDW_v1_0; NUMROV; 10.1016/0010-4655(88)90073-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/h9pmppr22h.1
title: A numerical code for the calculation of relativistic electron cyclotron damping with an arbitrary distribution function at an arbitrary harmonic

description: Abstract The relativistic expressions for the anti-Hermitian parts of the relativistic dielectric tensor elements can be expressed as a single integral over the parallel momentum variable, allowing an arbitrary electron distribution function. A computer program has been written for the calculation of this single integral. The numerical results are tested for a relativistic Maxwellian distribution function and agree with analytical expressions for this case. The numerical code is therefore an essential... Title of program: DAMPING Catalogue Id: AEIS_v1_0 Nature of problem The computer program calculates generalized expressions for the anti-Hermitian part of the relativistic dielectric tensor in a plasma for an arbitrary distribution function, with comparison to the analytical expressions derived in [1], associated with a relativistic Maxwellian distribution, for any n-th cyclotron harmonic and for the relativistic Landau damping case when n =0. The anti-Hermitian parts of the dielectric tensor are important to know, since they determine the damping or emission of ... Versions of this program held in the CPC repository in Mendeley Data AEIS_v1_0; DAMPING; 10.1016/j.cpc.2011.03.021 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)