cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/c5h637297d.1
title: Kranc: a Mathematica package to generate numerical codes for tensorial evolution equations

description: Abstract We present a suite of Mathematica-based computer-algebra packages, termed "Kranc", which comprise a toolbox to convert certain (tensorial) systems of partial differential evolution equations to parallelized C or Fortran code for solving initial boundary value problems. Kranc can be used as a "rapid prototyping" system for physicists or mathematicians handling very complicated systems of partial differential equations, but through integration into the Cactus computational toolkit we can also p... Title of program: Kranc Catalogue Id: ADXS_v1_0 Nature of problem Solution of partial differential equations in three space dimensions, which are formulated as an initial value problem. In particular, the program is geared towards handling very complex tensorial equations as they appear e.g. in numerical relativity. The worked out examples comprise the Klein-Gordon equations, the Maxwell equations, and the ADM formulation of the Einstein equations. Versions of this program held in the CPC repository in Mendeley Data ADXS_v1_0; Kranc; 10.1016/j.cpc.2006.02.002 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/gj5gp6b494.1
title: MCNP output data analysis with ROOT (MODAR)

description: Abstract MCNP Output Data Analysis with ROOT (MODAR) is a tool based on CERN's ROOT software. MODAR has been designed to handle time-energy data issued by MCNP simulations of neutron inspection devices using the associated particle technique. MODAR exploits ROOT's Graphical User Interface and functionalities to visualize and process MCNP simulation results in a fast and user-friendly way. MODAR allows to take into account the detection system time resolution (which is not possible with MCNP) as well a... Title of program: MODAR Catalogue Id: AEGA_v1_1 Nature of problem The output of a MCNP simulation is an ascii file. The data processing is usually performed by copying and pasting the relevant parts of the ascii file into Microsoft Excel. Such an approach is satisfactory when the quantity of data is small but is not efficient when the size of the simulated data is large, for example when time-energy correlations are studied in detail such as in problems involving the associated particle technique. In addition, since the finite time resolution of the simulated ... Versions of this program held in the CPC repository in Mendeley Data AEGA_v1_0; MODAR; 10.1016/j.cpc.2010.02.016 AEGA_v1_1; MODAR; 10.1016/j.cpc.2010.08.028 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/r2ksfh7b82.1
title: SPICE: Simulation Package for Including Flavor in Collider Events

description: Abstract We describe SPICE: Simulation Package for Including Flavor in Collider Events. SPICE takes as input two ingredients: a standard flavor-conserving supersymmetric spectrum and a set of flavor-violating slepton mass parameters, both of which are specified at some high "mediation" scale. SPICE then combines these two ingredients to form a flavor-violating model, determines the resulting low-energy spectrum and branching ratios, and outputs HERWIG and SUSY Les Houches files, which may be used to g... Title of program: SPICE Catalogue Id: AEFL_v1_0 Nature of problem Simulation programs are required to compare theoretical models in particle physics with present and future data at particle colliders. SPICE determines the masses and decay branching ratios of supersymmetric particles in theories with lepton flavor violation. The inputs are the parameters of any of several standard flavor-conserving supersymmetric models, supplemented by flavor-violating parameters determined, for example, by horizontal flavor symmetries. The output are files that may be used fo ... Versions of this program held in the CPC repository in Mendeley Data AEFL_v1_0; SPICE; 10.1016/j.cpc.2009.09.013 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/tmzsg9k4gb.1
title: Symmetrization and calculation of LEED intensity patterns

description: Title of program: LEED BEAM-SYMMETRIZED Catalogue Id: ACKG_v1_0 Nature of problem Experiments with low energy electron diffraction(LEED)are used for finding the composition of the unit mesh of crystal-overlayer (crystal plus overlayer) structures.... CORRECTION SUMMARY: Vol:Year:Page 0:unpublished:unpublished "000ACORRECTION 12/09/75" "Unpublished correction to symmetrization and calculation of LEED intensity patterns." J. Rundgren; A. Salwen Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ACKG_v1_0; LEED BEAM-SYMMETRIZED; 10.1016/0010-4655(75)90083-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/zjhz97r4x4.1
title: A new version of a computer program for dynamical calculations of RHEED intensity oscillations

description: Abstract We present a new version of the RHEED program which contains a graphical user interface enabling the use of the program in the graphical environment. The presented program also contains a graphical component which enables displaying program data at run-time through an easy-to-use graphical interface. Title of program: RHEEDGr Catalogue Id: ADUY_v2_0 [ADWV] Nature of problem Reflection high-energy electron diffraction (RHEED) is a very useful technique for studying growth and 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: 10.17632/243c4279yf.1
title: Kramers-Kronig analysis of reflection data

description: Title of program: KRKRAN Catalogue Id: ACKD_v1_0 Nature of problem Optical and dielectric constants of insulators and semiconductors are calculated from reflectance spectra using the Kramers-Kronig-dispersion relation. Versions of this program held in the CPC repository in Mendeley Data ACKD_v1_0; KRKRAN; 10.1016/0010-4655(73)90099-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/3vcbb4jcfs.1
title: GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model

description: Abstract Given the energy of a solid (E) as a function of the molecular volume (V), the gibbs program uses a quasi-harmonic Debye model to generate the Debye temperature Θ(V), obtains the non-equilibrium Gibbs function G ★(V;p,T), and minimizes G ★ to derive the thermal equation of state (EOS) V(p,T) and the chemical potential G(p,T) of the corresponding phase. Other macroscopic properties are also derived as a function of p and T from standard thermodynamic relations. The program focuses in obtaining... Title of program: GIBBS Catalogue Id: ADSY_v1_0 Nature of problem Derivation of the static and thermal equation of state, chemical potential, and thermodynamic properties of a crystal from energy volume data only. Versions of this program held in the CPC repository in Mendeley Data ADSY_v1_0; GIBBS; 10.1016/j.comphy.2003.12.001 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/4yky29y4hs.1
title: SDECAY: a Fortran code for the decays of the supersymmetric particles in the MSSM

description: Abstract We present the Fortran code SDECAY, which calculates the decay widths and branching ratios of all the supersymmetric particles in the Minimal Supersymmetric Standard Model, including higher order effects. Besides the usual two-body decays of sfermions and gauginos and the three-body decays of charginos, neutralinos and gluinos, we have also implemented the three-body decays of stops and sbottoms, and even the four-body decays of the stop; the important loop-induced decay modes are also includ... Title of program: SDECAY Version 1.1 (September 2004) Catalogue Id: ADVJ_v1_0 Nature of problem Numerical calculation of the decay widths and branching ratios of supersymmetric particles in the Minimal Supersymmetric Standard Model (MSSM). The program calculates two-, three- and four-body decays and loop decays. It includes the SUSY-QCD corrections to two-body decays involving strongly interacting particles. The top-quark decays within the MSSM are evaluated as well. Versions of this program held in the CPC repository in Mendeley Data ADVJ_v1_0; SDECAY Version 1.1 (September 2004); 10.1016/j.cpc.2005.01.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/9tvmt9d8yj.1
title: f1: a code to compute Appell's F 1 hypergeometric function

description: Abstract In this work we present the FORTRAN code to compute the hypergeometric function F_1 (α,β_1 ,β _2 ,γ,x,y) of Appell. The program can compute the F_1function for real values of the variables {x,y}, and complex values of the parameters {α,β_1 ,β_2 ,γ}. The code uses different strategies to calculate the function according to the ideas outlined in [F.D. Colavecchia et al., Comput. Phys. Comm. 138 (1) (2001) 29]. Title of program: f1 Catalogue Id: ADSJ_v1_0 Nature of problem Computing the Appell F 1 function is relevant in atomic collisons and elementary particle physics. It is usually the result of multidimensional integrals involving Coulomb continuum states. Versions of this program held in the CPC repository in Mendeley Data ADSJ_v1_0; f1; 10.1016/S0010-4655(03)00490-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/dff8x93rfx.1
title: Symbolic computation of the Hartree–Fock energy from a chiral EFT three-nucleon interaction at N2LO

description: Abstract We present the first of a two-part Mathematica notebook collection that implements a symbolic approach for the application of the density matrix expansion (DME) to the Hartree-Fock (HF) energy from a chiral effective field theory (EFT) three-nucleon interaction at N^2 LO. The final output from the notebooks is a Skyrme-like energy density functional that provides a quasi-local approximation to the non-local HF energy. In this paper, we discuss the derivation of the HF energy and its simplific... Title of program: SymbHFNNN Catalogue Id: AEGC_v1_0 Nature of problem The calculation of the HF energy from the chiral EFT three-nucleon interaction at N 2 LO involves tremendous spin-isospin algebra. The problem is compounded by the need to eventually obtain a quasi-local approximation to the HF energy, which requires the HF energy to be expressed in terms of scalar/vector-isoscalar/isovector parts of the one-body density matrix. The Mathematica notebooks discussed in this paper solve the latter issue. Versions of this program held in the CPC repository in Mendeley Data AEGC_v1_0; SymbHFNNN; 10.1016/j.cpc.2010.02.020 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/j2tc4ftg7g.1
title: POWEV: a subroutine package to evaluate eigenvalues and eigenvectors of large sparse matrices

description: Abstract We present here a FORTRAN subroutine package capable of evaluating the extreme (either largest or smallest) eigenvalues of a real symmetric matrix and its corresponding eigenvectors. The procedure employed is the well-known power method, in a new implementation which includes Chebyshev iterations to obtain faster convergence speed in certain cases, together with an auxiliary algorithm to automatically set the parameters of the Chebyshev iterations when there is no previous knowledge about the... Title of program: POWEV Catalogue Id: ACNR_v1_0 Nature of problem The numeric eigenvalue problem appears in a number of branches of Physics. Problems such as resolution of discrete systems with many degrees of freedom, exact diagonalization of quantum clusters, etc., require the calculation of eigenvalues and eigenvectors of large sparse matrices. Versions of this program held in the CPC repository in Mendeley Data ACNR_v1_0; POWEV; 10.1016/0010-4655(93)90040-J This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/k7f2hk7fc2.1
title: S-states of helium-like ions

description: Abstract A simple Mathematica (version 7) code for computing S-state energies and wave functions of two-electron (helium-like) ions is presented. The elegant technique derived from the classical papers of Pekeris is applied. The basis functions are composed of the Laguerre functions. The method is based on the perimetric coordinates and specific properties of the Laguerre polynomials. Direct solution of the generalized eigenvalues and eigenvectors problem is used, distinct from the Pekeris works. No s... Title of program: TwoElAtomSL(SH) Catalogue Id: AEHY_v2_0 Nature of problem The Schrödinger equation for atoms (ions) with more than one electron has not been solved analytically. Approximate methods must be applied in order to obtain the wave functions or other physical attributes from quantum mechanical calculations. Versions of this program held in the CPC repository in Mendeley Data AEHY_v1_0; TwoElAtomSL(SH); 10.1016/j.cpc.2010.11.031 AEHY_v2_0; TwoElAtomSL(SH); 10.1016/j.cpc.2011.11.001 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/mrvv4bjjy2.1
title: Improved version of group-theoretical analysis of lattice dynamics

description: Title of program: GROUP THEORY LATTICE DYNAMICS 2 Catalogue Id: ACMI_v2_0 [ACMM] Nature of problem The original version of the program symmetry-reduced the dynamical matrix characterizing lattice vibrations of solids, constructed symmetry coordinates which were labeled by the irreducible multiplier representationsof the group of the wavevector, and block-diagonalized the dynamical matrix. This improved version of the program allows one to calculate the symmetry properties of the external modes of vibration of molecular crystals, to generate the irreducible multiplier representation (IMR's), a ... Versions of this program held in the CPC repository in Mendeley Data ACMI_v1_0; GROUP THEORY OF LATTICE DYNAMICS; 10.1016/0010-4655(72)90058-6 ACMI_v2_0; GROUP THEORY LATTICE DYNAMICS 2; 10.1016/0010-4655(74)90057-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/pwj4gsp5mx.1
title: Plato: A localised orbital based density functional theory code

description: Abstract The Plato package allows both orthogonal and non-orthogonal tight-binding as well as density functional theory (DFT) calculations to be performed within a single framework. The package also provides extensive tools for analysing the results of simulations as well as a number of tools for creating input files. The code is based upon the ideas first discussed in Sankey and Niklewski (1989) [1] with extensions to allow high-quality DFT calculations to be performed. DFT calculations can utilise e... Title of program: Plato Catalogue Id: AEFC_v1_0 Nature of problem Density functional theory study of electronic structure and total energies of molecules, crystals and surfaces. Versions of this program held in the CPC repository in Mendeley Data AEFC_v1_0; Plato; 10.1016/j.cpc.2009.08.006 AEFC_v2_0; PLATO; 10.1016/j.cpc.2011.01.030 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/r7nf4s5s3v.1
title: Explicit formulae of angular momentum coupling coefficients

description: Abstract A program has been developed to generate algebraic formulae of the coupling coefficients of angular momenta. The algebraic programming system REDUCE version 3.3 is used for programming. The program consists of several REDUCE prefix operators. They carry out symbolic reductions of Clebsch-Gordan coefficients, Racah coefficients, X-coefficients, and related coefficients. Both variables and values of angular momentum can be their arguments. The program allows one to use these operators in the sa... Title of program: ANALG Catalogue Id: ACJV_v1_0 Nature of problem The program allows us algebraic reductions of Wigner's formula for Clebsch-Gordan coefficients and Racah's formula for Racah coefficients. With use of these two formulae, the program gives explicit algebraic expressions for Clebsch-Gordan coefficients, Racah coefficients, the X-coefficients, and other related coupling coefficients of angular momenta. The program contains several operators and each of them returns a coefficient accepting both values and variables of angular momentum as their argu ... Versions of this program held in the CPC repository in Mendeley Data ACJV_v1_0; ANALG; 10.1016/0010-4655(92)90147-Q This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/tcxggyh4y8.1
title: Code C# for chaos analysis of relativistic many-body systems with reactions

description: Abstract In this work we present a reaction module for "Chaos Many-Body Engine" (Grossu et al., 2010 [1]). Following our goal of creating a customizable, object oriented code library, the list of all possible reactions, including the corresponding properties (particle types, probability, cross section, particle lifetime, etc.), could be supplied as parameter, using a specific XML input file. Inspired by the Poincaré section, we propose also the "Clusterization Map", as a new intuitive analysis method ... Title of program: Chaos Many-Body Engine v02 Catalogue Id: AEGH_v2_0 Nature of problem Chaos analysis of three-dimensional, relativistic many-body systems with reactions. Versions of this program held in the CPC repository in Mendeley Data AEGH_v1_0; Chaos Many-Body Engine v01; 10.1016/j.cpc.2010.04.015 AEGH_v2_0; Chaos Many-Body Engine v02; 10.1016/j.cpc.2012.01.009 AEGH_v3_0; Chaos Many-Body Engine v03; 10.1016/j.cpc.2012.12.012 AEGH_v4_0; Chaos Many-Body Engine v04.1; 10.1016/j.cpc.2013.12.024 AEGH_v5_0; Chaos Many-Body Engine v05; 10.1016/j.cpc.2014.06.014 AEGH_v6_0; Chaos Many-Body Engine v06; 10.1016/j.cpc.2015.04.027 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/y2dkkcw28g.1
title: Calculation of the first derivatives of Madelung constants with respect to cell lengths

description: Title of program: MADELUNG DERIVATIVES Catalogue Id: ACMO_v1_0 Nature of problem To calculate the Madelung constant and its derivatives with respect to the cell lengths for the input crystal structure, in a charge dependent and charge independent form. Versions of this program held in the CPC repository in Mendeley Data ACMO_v1_0; MADELUNG DERIVATIVES; 10.1016/0010-4655(78)90031-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/yfnk6bsp8k.1
title: Laue crystallographic orientation with a fixed detector

description: Abstract A FORTRAN program is described that finds the orientation matrix appropriate for a single crystal mounted on a Eulerian cradle in a Laue scattering apparatus where there is a fixed narrow aperture detector or fixed reference direction in the scattering plane. The essence of the alignment strategy is that two or more Laue spots are directed successively towards the reference direction, missing it by measured amounts. The program also evaluates the Eulerian angles χ and φ necessary to make a gi... Title of program: LAUEOR Catalogue Id: ACLK_v1_0 Nature of problem Orientation of a 4-circle diffractometer with a single crystal sample, fixed detector and standard Eulerian arcs. Versions of this program held in the CPC repository in Mendeley Data ACLK_v1_0; LAUEOR; 10.1016/0010-4655(93)90177-E This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/ykfz4zzm43.1
title: GRACE/SUSY: Automatic generation of tree amplitudes in the minimal supersymmetric standard model

description: Abstract GRACE/SUSY is a program package for generating the tree-level amplitude and evaluating the corresponding cross section of processes of the minimal supersymmetric extension of the standard model (MSSM). The Higgs potential adopted in the system, however, is assumed to have a more general form indicated by the two-Higgs-doublet model. This system is an extension of GRACE for the standard model (SM) of the electroweak and strong interactions. For a given MSSM process the Feynman graphs and ampli... Title of program: GRACE/SUSY Catalogue Id: ADRS_v1_0 Nature of problem This program package automatically generates a set of programs which is necessary for the calculation of the cross section and generation of simulated events in accordance with the specification of a physical reaction in the standard or minimus supersymmetric model. Versions of this program held in the CPC repository in Mendeley Data ADRS_v1_0; GRACE/SUSY; 10.1016/S0010-4655(03)00159-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/52yh98d8j6.1
title: ‘tripleint_cc’: A program for 2-centre variational leptonic Coulomb potential matrix elements using Hylleraas-type trial functions, with a performance optimization study

description: Abstract We present a program used to calculate intricate three-particle integrals for variational calculations of solutions to the leptonic Schrödinger equation with two nuclear centres in which inter-leptonic distances (electron-electron and positron-electron) are included directly in the trial functions. The program has been used so far in calculations of He - over(H, ̄) interactions and positron H _2 scattering, however the precisely define... Title of program: tripleint.cc Catalogue Id: AEEV_v1_0 Nature of problem The 'tripleint.cc' code evaluates three-particle integrals needed in certain variational (in particular: Rayleigh-Ritz and generalized-Kohn) matrix elements for solution of the Schrödinger equation with two fixed centres (the solutions may then be used in subsequent dynamic nuclear calculations). Specifically the integrals are defined by equation (16) in the main text and contain terms proportional to r ik × r jk /r ij , i ≠j , i ≠ k , j ≠ k , with r ij the distance between leptons i and j. The ... Versions of this program held in the CPC repository in Mendeley Data AEEV_v1_0; tripleint.cc; 10.1016/j.cpc.2009.07.008 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)