cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/fn2b5dd8j7.1
title: Library of sophisticated functions for analysis of nuclear spectra

description: Abstract In the paper we present compact library for analysis of nuclear spectra. The library consists of sophisticated functions for background elimination, smoothing, peak searching, deconvolution, and peak fitting. The functions can process one- and two-dimensional spectra. The software described in the paper comprises a number of conventional as well as newly developed methods needed to analyze experimental data. Title of program: SpecAnalysLib 1.1 Catalogue Id: AEDZ_v1_0 Nature of problem The demand for advanced highly effective experimental data analysis functions is enormous. The library package represents one approach to give the physicists the possibility to use the advanced routines simply by calling them from their own programs. SpecAnalysLib is a collection of functions for analysis of one- and two-parameter γ-ray spectra, but they can be used for other types of data as well. The library consists of sophisticated functions for background elimination, smoothing, peak search ... Versions of this program held in the CPC repository in Mendeley Data AEDZ_v1_0; SpecAnalysLib 1.1; 10.1016/j.cpc.2009.04.025 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/gv22p9wv5y.1
title: Statistical decisions under nonparametric a priory information

description: Abstract A program is developed for simular and experimental data handling. The main purposes are: the choice of the model most precisely describing the experiment, classification of particles and interaction processes. Procedures used: Bayes error calculation, K nearest neighbour density estimation, “Leave-one-out-at-a-time” test. Used nonparametric methods provide quantitative comparison of multivariate distribution mixture classification. Applications: high energy physics, cosmic ray physics. ... Title of program: KNN Catalogue Id: ABHS_v1_0 Nature of problem Choice of theoretical model most precisely describing experimental data, extraction of events of a definite type, classification of particles and interaction processes. Versions of this program held in the CPC repository in Mendeley Data ABHS_v1_0; KNN; 10.1016/0010-4655(89)90098-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/jdr7v3cfkj.1
title: BIOTC: An open-source CFD code for simulating biomass fast pyrolysis

description: Abstract The BIOTC code is a computer program that combines a multi-fluid model for multiphase hydrodynamics and global chemical kinetics for chemical reactions to simulate fast pyrolysis of biomass at reactor scale. The object-oriented characteristic of BIOTC makes it easy for researchers to insert their own sub-models, while the user-friendly interface provides users a friendly environment as in commercial software. A laboratory-scale bubbling fluidized bed reactor for biomass fast pyrolysis was sim... Title of program: BIOTC-2.1.x Catalogue Id: AESJ_v1_0 Nature of problem Computational fluid dynamics (CFD) simulation of biomass fast pyrolysis at reactor scale can help reveal the details of the process and develop an understanding of the underlying mechanisms for reactor operation and optimization. However, the existing CFD codes, commercial or open-source, still pose difficulties for users to carry out an efficient simulation. Therefore, an open-source CFD code that integrates the merits of mainstream commercial and open-source codes, i.e., user-friendly interfac ... Versions of this program held in the CPC repository in Mendeley Data AESJ_v1_0; BIOTC-2.1.x; 10.1016/j.cpc.2014.02.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/jvk5x65y9d.1
title: Introducing MCgrid 2.0: Projecting cross section calculations on grids

description: Abstract MCgrid is a software package that provides access to interpolation tools for Monte Carlo event generator codes, allowing for the fast and flexible variation of scales, coupling parameters and PDFs in cutting edge leading- and next-to-leading-order QCD calculations. We present the upgrade to version 2.0 which has a broader scope of interfaced interpolation tools, now providing access to fastNLO, and features an approximated treatment for the projection of MC@NLO-type calculations onto interpol... Title of program: MCgrid Catalogue Id: AESS_v2_0 Nature of problem Efficient filling of cross section grid files from fully exclusive parton level Monte Carlo events. Versions of this program held in the CPC repository in Mendeley Data AESS_v1_0; MCgrid; 10.1016/j.cpc.2014.03.023 AESS_v2_0; MCgrid; 10.1016/j.cpc.2015.07.002 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/m3gpwt4ptg.1
title: Algorithmic derivation of functional renormalization group equations and Dyson–Schwinger equations

description: Abstract We present the Mathematica application DoFun ^1which allows to derive Dyson-Schwinger equations and renormalization group flow equations for n-point functions in a simple manner. DoFun offers several tools which considerably simplify the derivation of these equations from a given physical action. We discuss the application of DoFun by means of two different types of quantum field theories, namely a bosonic O(N) theory and the Gross-Neveu model. Title of program: DoFun Catalogue Id: AELN_v1_0 Nature of problem Derivation of functional renormalization group equations and Dyson-Schwinger equations from the given action of a theory. Versions of this program held in the CPC repository in Mendeley Data AELN_v1_0; DoFun; 10.1016/j.cpc.2012.01.014 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/nnz5pfvkp8.1
title: RNGSSELIB: Program library for random number generation, SSE2 realization

description: Abstract The library RNGSSELIB for random number generators (RNGs) based upon the SSE2 command set is presented. The library contains realization of a number of modern and most reliable generators. Usage of SSE2 command set allows to substantially improve performance of the generators. Three new RNG realizations are also constructed. We present detailed analysis of the speed depending on compiler usage and associated optimization level, as well as results of extensive statistical testing for all gener... Title of program: RNGSSELIB Catalogue Id: AEIT_v1_0 Nature of problem Any calculation requiring uniform pseudorandom number generator, in particular, Monte Carlo calculations. Versions of this program held in the CPC repository in Mendeley Data AEIT_v1_0; RNGSSELIB; 10.1016/j.cpc.2011.03.022 AEIT_v2_0; RNGSSELIB; 10.1016/j.cpc.2013.04.007 AEIT_v3_0; RNGAVXLIB; 10.1016/j.cpc.2015.11.001 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/r2393z5y4n.1
title: IPEC Solver: Numerical simulation tool to study inter-polyelectrolyte complexation

description: Abstract IPEC Solver is a Windows program designed to analyze the stability of core–shell inter-polyelectrolyte complexes formed by complexation of oppositely charged block copolymers. The two-dimensional size distribution of the complexes composed by different numbers of positively or negatively charged polyelectrolytes is calculated based on the scaling model of block copolymer aggregation and Poisson–Boltzmann theory for electrostatic interactions [V.A. Baulin, E. Trizac, Self-assembly of spherical... Title of program: IPEC Solver Catalogue Id: AEPM_v1_0 Nature of problem This free software is designed to illustrate physical mechanisms of self-assembly of inter-polyelectrolyte complexes in the presence of salt. It can suggest an optimal structure of the aggregates in a function of the structure of block copolymers. Versions of this program held in the CPC repository in Mendeley Data AEPM_v1_0; IPEC Solver; 10.1016/j.cpc.2013.05.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/sydkx68zn4.1
title: A program for generating one-particle and two-particle coefficients of fractional parentage for the single j-orbit with isospin

description: Abstract The program CFPjOrbit written in FORTRAN 90 is aimed at generating the list of one-particle and two-particle coefficients of fractional parentage (CFPs) for the single j-orbit with isospin. The approach is based on a simple enumeration scheme for antisymmetric A-particle states and an efficient method for constructing the eigenvectors of an idempotent matrix as proposed in [A. Deveikis, R.K. Kalinauskas, B.R. Barrett, Ann. Phys. 296 (2002) 287]. The program provides fast calculation of coeffi... Title of program: CFPjOrbit, EnumCFP Catalogue Id: ADWI_v1_0 Nature of problem Generating the list of one-particle and two-particle coefficients of fractional parentage for the single j-orbit with isospin. Versions of this program held in the CPC repository in Mendeley Data ADWI_v1_0; CFPjOrbit, EnumCFP; 10.1016/j.cpc.2005.07.009 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/tggfs3tpbr.1
title: Evaluation of negative energy Coulomb (Whittaker) functions

description: Abstract This paper describes a code for evaluating exponentially decaying negative energy Coulomb functions and their first derivatives with respect to the radial variable. The functions, which correspond to Whittaker functions of the second kind, are obtained to high accuracy for a wide range of parameters using recurrence techniques. Title of program: whittaker_w Catalogue Id: ADSZ_v1_0 Nature of problem The closed-channel components of the asymptotic radial wave function corresponding to electron or positron scattering by atomic or molecular ions may be expressed in terms of negative energy Coulomb functions. The scattering observables are obtained from S or T matrices which in turn are obtained by matching the radial and asymptotic wavefunctions at a finite radial point. Recent large scale scattering calculations have required accurate values of the Coulomb functions at smaller ρ values and la ... Versions of this program held in the CPC repository in Mendeley Data ADSZ_v1_0; whittaker_w; 10.1016/j.comphy.2003.12.004 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/x4khfw83cw.1
title: Calculation of electric quadrupole radial matrix elements for Coulomb excitation

description: Title of program: ITER Catalogue Id: ABQC_v1_0 Nature of problem Radial matrix elements for E2 or M1 Coulomb excitation are calculated for l values up to 500. These elements are used in the calculation of scattering amplitudes associated with inelastic scattering of charged particles from nuclei, by partial waves expansion. When non-Coulomb short range forces are included, these elements apply to large l values. Coulomb interaction is important even at energies high above the Coulomb barrier, and a few hundred partial waves have to be included. Versions of this program held in the CPC repository in Mendeley Data ABQC_v1_0; ITER; 10.1016/0010-4655(71)90039-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/z628khnw4x.1
title: ANIS: High energy neutrino generator for neutrino telescopes

description: Abstract We present the high-energy neutrino Monte Carlo event generator ANIS (All Neutrino Interaction Simulation). The program provides a detailed and flexible neutrino event simulation for high-energy neutrino detectors, such as AMANDA, ANTARES or ICECUBE. It generates neutrinos of any flavor according to a specified flux and propagates them through the Earth. In a final step neutrino interactions are simulated within a specified volume. All relevant standard model processes are implemented. We dis... Title of program: ANIS Catalogue Id: ADWF_v1_0 Nature of problem Monte Carlo neutrino event generator for high-energy neutrino telescopes. Versions of this program held in the CPC repository in Mendeley Data ADWF_v1_0; ANIS; 10.1016/j.cpc.2005.03.113 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/49wgn855c8.1
title: MULTI-fs – A computer code for laser–plasma interaction in the femtosecond regime

description: Abstract The code MULTI-fs is a numerical tool devoted to the study of the interaction of ultrashort sub-picosecond laser pulses with matter in the intensity range from 10 ^(11)to 10 ^(17)W cm ^(-2). Hydrodynamics is solved in one-dimensional geometry together with laser energy deposition and transport by thermal conduction and radiation. In contrast to long nanosecond pulses, short pulses generate steep gradient plasmas with typical scale lengths in the order of the laser wavelength and small... Title of program: MULTI-fs Catalogue Id: AEKT_v1_0 Nature of problem One dimensional interaction of intense ultrashort (subpicosecond) and ultraintense (up to 10 17 W cm -2 ) laser beams with matter. Versions of this program held in the CPC repository in Mendeley Data AEKT_v1_0; MULTI-fs; 10.1016/j.cpc.2011.10.016 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/8r2z6x2ptt.1
title: Atomic self-consistent-field program by the basis set expansion method: Columbus version

description: Abstract A revised and extended (Columbus) version of the Chicago atomic self-consistent-field (Hartree–Fock) program of 1963 is described. Its principal present use is in developing Gaussian basis sets for molecular calculations. Complete memory allocation (using Fortran 90) has been added as well as improved integral formulas and efficient and simple programming features. Energy-expression coefficients have been added sufficient to treat the ground states of all atoms to the extent that Russell–Saun... Title of program: atmscf Catalogue Id: ADVR_v1_0 Nature of problem Energies and wave functions, at the Hartree-Fock level. Versions of this program held in the CPC repository in Mendeley Data ADVR_v1_0; atmscf; 10.1016/j.cpc.2005.04.003 ADVR_v2_0; atmscf; 10.1016/j.cpc.2012.02.009 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/9hrvd87gb2.1
title: Simulation of n-qubit quantum systems. II. Separability and entanglement

description: Abstract Studies on the entanglement of n-qubit quantum systems have attracted a lot of interest during recent years. Despite the central role of entanglement in quantum information theory, however, there are still a number of open problems in the theoretical characterization of entangled systems that make symbolic and numerical simulation on n-qubit quantum registers indispensable for present-day research. To facilitate the investigation of the separability and entanglement properties of n-qubit qua... Title of program: FEYNMAN Catalogue Id: ADWE_v2_0 Nature of problem Entanglement has been identified as an essential resource in virtually all aspects of quantum information theory. Therefore, the detection and quantification of entanglement is a necessary prerequisite for many applications, such as quantum computation, communications or quantum cryptography. Up to the present, however, the multipartite entanglement of n-qubit systems has remained largely unexplored owing to the exponential growth of complexity with the number of qubits involved. Versions of this program held in the CPC repository in Mendeley Data ADWE_v1_0; FEYNMAN; 10.1016/j.cpc.2005.07.006 ADWE_v2_0; FEYNMAN; 10.1016/j.cpc.2006.03.006 ADWE_v3_0; FEYNMAN; 10.1016/j.cpc.2007.02.106 ADWE_v4_0; FEYNMAN; 10.1016/j.cpc.2008.06.007 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/btgfw3jkgh.1
title: Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program

description: Abstract A symbolic program performing the Formal Reduction of Density Operators (FRODO), formerly developed in the MuPAD computer algebra system with the purpose of evaluating the matrix elements of the electronic Hamiltonian between internally contracted functions in a complete active space (CAS) scheme, has been rewritten in Mathematica. Title of program: FRODO Catalogue Id: ADVY_v2_0 Nature of problem In order to improve on the CAS-SCF wavefunction one can resort to multireference perturbation theory or configuration interaction based on internally contracted functions (ICF) which are obtained by application of the excitation operators to the reference CAS-SCF wavefunction. The previous formulation of such matrix elements in the MuPAD computer algebra system, has been rewritten using Mathematica. Versions of this program held in the CPC repository in Mendeley Data ADVY_v1_0; FRODO; 10.1016/j.cpc.2005.05.002 ADVY_v2_0; FRODO; 10.1016/j.cpc.2012.09.034 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/j69f3ck74c.1
title: Effy, a program to calculate the counting efficiency of beta particles in liquid scintillators

description: Title of program: EFFY Catalogue Id: ABQL_v1_0 Nature of problem In liquid scintillation counting it is often required to know the counting efficiency. A model of the basic interactions allows one to calculate the detection efficiency for beta emitters as a function of the figure of merit. The program is applicable to single and complex beta emitters. Versions of this program held in the CPC repository in Mendeley Data ABQL_v1_0; EFFY; 10.1016/0010-4655(81)90179-X ABQL_v2_0; EFFY2; 10.1016/0010-4655(85)90057-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/p79cxzy6tx.1
title: JOSEPHINE : A parallel SPH code for free-surface flows

description: Abstract JOSEPHINE is a parallel Smoothed Particle Hydrodynamics program, designed to solve unsteady free-surface flows. The adopted numerical scheme is efficient and has been validated on a first case, where a liquid drop is stretched over the time. Boundary conditions can also be modelled, as it is demonstrated in a second case: the collapse of a water column. Results show good agreement with both reference numerical solutions and experiments. The use of parallelism allows significant reduction of ... Title of program: <i>JOSEPHINE</i> Catalogue Id: AELV_v1_0 Nature of problem JOSEPHINE is designed to solve unsteady incompressible flows with a free-surface and large deformations. Versions of this program held in the CPC repository in Mendeley Data AELV_v1_0; <i>JOSEPHINE</i>; 10.1016/j.cpc.2012.02.007 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/pbv7bz59rj.1
title: Solution of the Skyrme–HF+BCS equation on a 3D mesh, II: A new version of the Ev8 code

description: Abstract We describe a new version of the Ev8 code that solves the nuclear Skyrme–Hartree–Fock+BCS problem using a 3-dimensional cartesian mesh. Several new features have been implemented with respect to the earlier version published in 2005. In particular, the numerical accuracy has been improved for a given mesh size by (i) implementing a new solver to determine the Coulomb potential for protons, and (ii) implementing a more precise method to calculate the derivatives on a mesh that had already been... Title of program: Ev8 Catalogue Id: ADWA_v2_0 Nature of problem By means of the Hartree-Fock + BCS method for Skyrme-type energy density functionals, Ev8 allows the study of the evolution of the binding energy of even-even atomic nuclei for various shapes determined by the most general quadrupole and monopole constraints. Versions of this program held in the CPC repository in Mendeley Data ADWA_v1_0; EV8; 10.1016/j.cpc.2005.05.001 ADWA_v2_0; Ev8; 10.1016/j.cpc.2014.10.001 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/wb2c3d2d6z.1
title: Programs to aid in establishing gamma-ray decay schemes, DCSCH3 and DCSCH4

description: Abstract Title of program: (32 characters maximum) Decay scheme program DCSCH3 Catalogue number: ABOF Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer for which the program is designed and others upon which it is operable Computer: IBM 360-50. Installation: North Texas State University Operating system or monitor under which the program is executed: OS MFT II (HASPII) Programming languages used: FORTRAN IV H High spee... Title of program: DECAY SCHEME PROGRAM, DCSCH3 Catalogue Id: ABOF_v1_0 Nature of problem The problem of determining a gamma-ray decay scheme and establishing energy levels from the gramma-spectra can be a tedious process. The programs DCSCH3 and DCSCH4 are designed to furnish the experimenter, in a convenient form, the information he needs to carry out this task. Versions of this program held in the CPC repository in Mendeley Data ABOF_v1_0; DECAY SCHEME PROGRAM, DCSCH3; 10.1016/0010-4655(71)90004-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/zf2jc766gd.1
title: tau: A 1D radiative transfer code for transmission spectroscopy of extrasolar planet atmospheres

description: Abstract The TAU code is a 1D line-by-line radiative transfer code, which is generally applicable for modeling transmission spectra of close-in extrasolar planets. The inputs are the assumed temperature–pressure profile of the planetary atmosphere, the continuum absorption coefficients and the absorption cross-sections for the trace molecular absorbers present in the model, as well as the fundamental system parameters taken from the published literature. The program then calculates the optical path th... Title of program: tau Catalogue Id: AEPN_v1_1 Nature of problem Calculation of molecular absorption, and hence transit depths, as a function of wavelength for stellar radiation passing through planetary atmospheres. Versions of this program held in the CPC repository in Mendeley Data AEPN_v1_0; tau; 10.1016/j.cpc.2013.05.011 AEPN_v1_1; tau; 10.1016/j.cpc.2013.09.017 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/cmvshkypx9.1
title: A Fortran code for the scattering of EM plane waves by two cylinders at normal incidence

description: Abstract A Fortran code for the scattering of electromagnetic plane waves from two infinitely long penetrable cylinders with circular cross sections at normal incidence is presented. The radius and the refractive index of each cylinder are arbitrary as well as the separation of the cylinders. The program calculates the Mueller scattering matrix elements (S_(ij)), various cross sections, and the square of the scattered amplitutes. All computations are done by using single precision arithmetic procedu... Title of program: SCTWO Catalogue Id: ABRI_v1_0 Nature of problem This program calculates the Mueller scattering matrix elements, the cross sections per unit length, and the square of the scattered amplitudes in the farfield scattering region for the scattering of plane waves from two parallel cylinders at normal incidence. The cylinders are infinitely long and have circular cross sections. The materials, the radii, and the separation of the cylinders are arbitrary. Versions of this program held in the CPC repository in Mendeley Data ABRI_v1_0; SCTWO; 10.1016/0010-4655(90)90185-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)