cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/n25mfrm5nx.1
title: A computer program for nuclear scattering at intermediate and high energies

description: Abstract A computer program is presented which calculates the elastic and inelastic scattering in intermediate and high energy nuclear collisions. A coupled-channels method is used for Coulomb and nuclear excitations of E1, E2, E3, M1, and M2 multipolarities, respectively. The program applies to an arbitrary nucleus, specified by the spins and energies of the levels and by reduced matrix elements. For given bombarding conditions, the angular distribution of elastic and inelastic scattered particles an... Title of program: DWEIKO Catalogue Id: ADRN_v1_0 Nature of problem The program calculates elastic scattering differential cross sections, probabilities, and cross sections for inelastic scattering in nuclear collisions at intermediate and high energies (Elab &gt;= 50 MeV/nucleon). It is particularly useful in the analysis of experiments with stable and unstable nuclear beams running at several intermediate-energy heavy ion accelerators around the world. Versions of this program held in the CPC repository in Mendeley Data ADRN_v1_0; DWEIKO; 10.1016/S0010-4655(02)00824-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/pncr5ps8pw.1
title: Computer simulation of FT-NMR multiple pulse experiment

description: Abstract Using the product operator formalism in its real form, SIMULDENS expands the density matrix of a scalar coupled nuclear spin system and simulates analytically a large variety of FT-NMR multiple pulse experiments. The observable transverse magnetizations are stored and can be combined to represent signal accumulation. The programming language is VAX PASCAL, but a MacIntosh Turbo Pascal Version is also available. Title of program: SIMULDENS Catalogue Id: ABHL_v1_0 Nature of problem The program SIMULDENS derives analytically the density matrix of a system of N weakly coupled spin-1/2 nuclei (N = 4 in this version) during a pulse sequence. Versions of this program held in the CPC repository in Mendeley Data ABHL_v1_0; SIMULDENS; 10.1016/0010-4655(89)90042-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/rgk22nnz9m.1
title: CLUMPY: Jeans analysis, γ -ray and ν fluxes from dark matter (sub-)structures

description: Abstract We present an update of the CLUMPY code for the calculation of the astrophysical J-factors (from dark matter annihilation/decay) for any Galactic or extragalactic dark matter halo including substructures: halo-to-halo concentration scatter may now be enabled, boost factors can include several levels of substructures, and triaxiality is a new option for dark matter haloes. This new version takes advantage of the cfitsio and HEALPix libraries to propose fits output maps using the HEALPix pixeli... Title of program: CLUMPY Catalogue Id: AEKS_v2_0 Nature of problem Calculation of dark matter profile from kinematic data, Γ-ray and ν signals from dark matter annihilation/decay. Versions of this program held in the CPC repository in Mendeley Data AEKS_v1_0; CLUMPY; 10.1016/j.cpc.2011.10.017 AEKS_v2_0; CLUMPY; 10.1016/j.cpc.2015.11.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/6ny3p62g36.1
title: Use of group theory for the analysis of vibrational spectra

description: Abstract To facilitate the use of group theory in the analysis of vibrational spectra, a set of Maple procedures is provided generating the normal coordinates and determining the spectral activities of polyatomic molecules. Our program, called Bethe, is based on the frequently applied point groups and provides an interactive access to the group data as needed in physical chemistry and elsewhere. Owing to the demand of the users the normal coordinates of the molecules are provided either in terms of Ca... Title of program: BETHE. Catalogue Id: ADUH_v1_0 Nature of problem Interaction of the infrared light with the molecule can lead to the excitation of the molecular vibrations [2]. Analysis of such vibrations is performed by the point group theory and helps to interpret the molecular spectra. Versions of this program held in the CPC repository in Mendeley Data ADUH_v1_0; BETHE.; 10.1016/j.cpc.2004.06.088 ADUH_v2_0; BETHE; 10.1016/j.cpc.2005.03.112 ADUH_v3_0; BETHE; 10.1016/j.cpc.2006.01.001 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/kzx9ggcwxz.1
title: An algorithm for a semiempirical nuclear fragmentation model

description: Title of program: NUCFRAG Catalogue Id: ABBG_v1_0 Nature of problem Interactive program NUCFRAG, presents an algorithm for an abrasion/ ablation model of heavy ion fragmentation which includes a second order correction for the surface energy term and addition of photonuclear dissociation to provide reasonable representation of the present elemental fragmentation cross sections. Versions of this program held in the CPC repository in Mendeley Data ABBG_v1_0; NUCFRAG; 10.1016/0010-4655(87)90114-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/mbvgwpgt8d.1
title: CFRX, a one-and-a-quarter-dimensional transport code for field-reversed configuration studies

description: Abstract A one-and-a-quarter-dimensional transport code, which includes radial as well as some two-dimensional effects for field-reversed configurations, is described. The set of transport equations is transformed to a set of new independent and dependent variables and is solved as a coupled initial-boundary value problem. The code simulation includes both the closed and open field regions. The axial effects incorporated include global axial force balance, axial losses in the open field region, and fl... Title of program: CFRX Catalogue Id: ABHZ_v1_0 Nature of problem A one-and-a-quarter-dimensional transport code which includes radial as well as some two-dimensional effects for field-reversed configurations (FRC's) is described. The set of transport equations is solved as a coupled initial-boundary value problem. The code simulation includes both the closed and open field regions. The axial effects incorporated include global axial force balance, axial losses in the open field region, and flux surface averaging over the closed field region. Versions of this program held in the CPC repository in Mendeley Data ABHZ_v1_0; CFRX; 10.1016/0010-4655(89)90095-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/mgtkhn5hg4.1
title: Monte Carlo generator ELRADGEN 2.0 for simulation of radiative events in elastic ep-scattering of polarized particles

description: Abstract The structure and algorithms of the Monte Carlo generator ELRADGEN 2.0 designed to simulate radiative events in polarized ep-scattering are presented. The full set of analytical expressions for the QED radiative corrections is presented and discussed in detail. Algorithmic improvements implemented to provide faster simulation of hard real photon events are described. Numerical tests show high quality of generation of photonic variables and radiatively corrected cross section. The comparison o... Title of program: ELRADGEN 2.0 Catalogue Id: AELO_v1_0 Nature of problem Simulation of radiative events in polarized ep-scattering. Versions of this program held in the CPC repository in Mendeley Data AELO_v1_0; ELRADGEN 2.0; 10.1016/j.cpc.2012.01.015 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/nwdcx92bbk.1
title: Vector 33: A reduce program for vector algebra and calculus in orthogonal curvilinear coordinates

description: Abstract This paper describes a package with enables REDUCE 3.3 to perform algebra and calculus operations upon vectors. Basic algebraic operations between vectors and between scalars and vectors are provided, including scalar (dot) product and vector (cross) product. The vector differential operators curl, divergence, gradient and Laplacian are also defined, and are valid in any orthogonal curvilinear coordinate system. The package is written in RLISP to allow algebra and calculus t... Title of program: VECTOR33 Catalogue Id: ABJC_v1_0 Nature of problem Vector algebra and calculus is an important tool in the solution of many problems in physics and physical chemistry. However, vector calculus operations in orthogonal curvilinear coordinate systems often produce cumbersome expressions which are not easy to manipulate and simplify by hand. Versions of this program held in the CPC repository in Mendeley Data ABJC_v1_0; VECTOR33; 10.1016/0010-4655(89)90092-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/xg5c9v2jtf.1
title: Model-Driven Development for scientific computing. An upgrade of the RHEEDGr program

description: Abstract Model-Driven Engineering (MDE) is the software engineering discipline, which considers models as the most important element for software development, and for the maintenance and evolution of software, through model transformation. Model-Driven Architecture (MDA) is the approach for software development under the Model-Driven Engineering framework. This paper surveys the core MDA technology that was used to upgrade of the RHEEDGR program to C++0x language standards. Title of program: RHEEDGR-09 Catalogue Id: ADUY_v3_0 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/ybdj4rk8dd.1
title: Cross section for five-parton production in e+e- annihilation

description: Abstract We describe routines written in REDUCE for the calculation of the five-parton processes e^+ e^- →qq3g and e^+ e^- →2q2qg in lowest order QCD perturbation theory. Title of program: FIVE PARTON CROSS SECTION Catalogue Id: ABLH_v1_0 Nature of problem The five-parton cross section in e+e- annihilation is calculated by REDUCE programs. FORTRAN programs that sum all contributions such that an application in Monte Carlo studies is possible are presented. Permutations of momenta of the external particles are performed numerically to keep the cross section formula short. Versions of this program held in the CPC repository in Mendeley Data ABLH_v1_0; FIVE PARTON CROSS SECTION; 10.1016/0010-4655(89)90019-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/3wc5z72k4n.1
title: A molecular dynamics implementation of the 3D Mercedes-Benz water model

description: Abstract The three-dimensional Mercedes-Benz model was recently introduced to account for the structural and thermodynamic properties of water. It treats water molecules as point-like particles with four dangling bonds in tetrahedral coordination, representing H-bonds of water. Its conceptual simplicity renders the model attractive in studies where complex behaviors emerge from H-bond interactions in water, e.g., the hydrophobic effect. A molecular dynamics (MD) implementation of the model is non-triv... Title of program: CASHEW (Coarse Approach Simulator for Hydrogen-bonding Effects in Water) Catalogue Id: AEKM_v1_0 Nature of problem Molecular dynamics simulation of a new geometric water model. Versions of this program held in the CPC repository in Mendeley Data AEKM_v1_0; CASHEW (Coarse Approach Simulator for Hydrogen-bonding Effects in Water); 10.1016/j.cpc.2011.09.008 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/3z6rvkfmr9.1
title: A program to compute variationally optimized relativistic atomic potentials

description: Abstract The computer program described in the previous paper is modified to calculate effective local potentials for electrons in atoms or ions described by the single-particle Dirac equation. The electron-electron interaction is assumed to be the Coulomb potential. The modifications to the theory necessary in the relativistic case are described in detail. The resulting potential should be useful for calculating properties of atoms for large Z values. The results of the non-relativistic calculation o... Title of program: DIRACATOMOPM Catalogue Id: ABHU_v1_0 Nature of problem The optimized potential model for an effective average potential for the electrons moving in an atom or an ion described in the preceding article is extended to the relativistic case; this permits the calculation of effects that are important for large values of Z. The relativistic problem is treated by replacing the Schroedinger wave function by Dirac spinors and the non-relativistic kinetic energy operator by the Dirac kinetic energy. The electron-electron interaction is taken to be the Coulom ... Versions of this program held in the CPC repository in Mendeley Data ABHU_v1_0; DIRACATOMOPM; 10.1016/0010-4655(89)90035-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/7wmbzmt5z7.1
title: Carla: A code to calculate the population of high spin states through compound nucleus reactions

description: Title of program: CARLA Catalogue Id: ABGQ_v1_0 Nature of problem Calculation of the direct population of high spin state in the frame of statistical model. Versions of this program held in the CPC repository in Mendeley Data ABGQ_v1_0; CARLA; 10.1016/0010-4655(78)90098-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/fzhn9wg85h.1
title: SHAREv2: fluctuations and a comprehensive treatment of decay feed-down

description: Abstract This the user's manual for SHARE version 2. SHARE [G. Torrieri, S. Steinke, W. Broniowski, W. Florkowski, J. Letessier, J. Rafelski, Comput. Phys. Comm. 167 (2005) 229] (Statistical Hadronization with Resonances) is a collection of programs designed for the statistical analysis of particle production in relativistic heavy-ion collisions. While the structure of the program remains similar to v1.x, v2 provides several new features such as evaluation of statistical fluctuations of particle yield... Title of program: SHAREv2 Catalogue Id: ADVD_v2_0 Nature of problem Event-by-event fluctuations have been recognized to be the physical observable capable to constrain particle production models. Therefore, consideration of event-by-event fluctuations is required for a decisive falsification or constraining of (variants of) particle production models based on (grand-, micro-) canonical statistical mechanics phase space, the so called statistical hadronization models (SHM). <br> As in the case of particle yields, to properly compare model calculations to data it ... Versions of this program held in the CPC repository in Mendeley Data ADVD_v1_0; SHARE, October 2004, version 1.2; 10.1016/j.cpc.2005.01.004 ADVD_v2_0; SHAREv2; 10.1016/j.cpc.2006.07.010 ADVD_v3_0; SHARE with CHARM; 10.1016/j.cpc.2014.02.026 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/h5w7vpv5t7.1
title: Alacant: Modeling of glow discharge sputtering systems

description: Abstract The FORTRAN 77 program ALACANT models in one spatial dimension the charge exchange and ionisation processes that take place in the cathode fall region in a glow discharge and the transport of sputtered material through the plasma region to the substrate. Outputs include electric field, the extent of the dark space, flux energy distributions, current densities, target etching yield, target erosion rate and deposition rate at the substrate. Title of program: ALACANT Catalogue Id: ABFC_v1_0 Nature of problem This program treats the charge-exchange and ionization processes that take place in the region of spatial charge or cathode fall region in a glow discharge and the transport of sputtered matter through the plasma region to the substrate. We calculate self-consistently the electric field in the cathode fall region, the extent of the dark space, the flux energy distributions of energetic particles (ions, neutrals and electrons), the current density of ions and electrons in the cathode fall region, ... Versions of this program held in the CPC repository in Mendeley Data ABFC_v1_0; ALACANT; 10.1016/0010-4655(88)90154-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/h99ysx6tzh.1
title: Cuba—a library for multidimensional numerical integration

description: Abstract The Cuba library provides new implementation of four general-purpose multidimensional integration algorithms: Vegas, Suave, Divonne, and Cuhre. Suave is a new algorithm, Divonne is a known algorithm to which important details have been added, and Vegas and Cuhre are new implementations of existing algorithms with only few improvements over the original versions. All four algorithms can integrate vector integrands and have very similar Fortran, C/C++, and Mathematica interfaces. Title of program: CUBA Catalogue Id: ADVH_v1_3 Nature of problem Multidimensional numerical integrations, e.g. of phase spaces. Versions of this program held in the CPC repository in Mendeley Data ADVH_v1_0; CUBA; 10.1016/j.cpc.2005.01.010 ADVH_v1_3; CUBA; 10.1016/j.cpc.2007.03.006 ADVH_v4_2; Cuba; 10.1016/j.cpc.2016.05.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/hdyjb9vd4s.1
title: An algebraic formulation and implementation of the tetrahedron linear method for the Brillouin zone integration of spectral functions

description: Abstract A package of FORTRAN subroutines is provided for the Brillouin zone (BZ) integration of the Greenʼs functions (GF) and spectral functions. The relevant weighting factors at sampling points in the BZ are evaluated to high precision with the help of the formulas for both the real and imaginary parts. The analytical properties of implemented expressions are discussed, and their range of validity is determined. The limiting cases when values at the tetrahedron corners coincide are worked out in t... Title of program: SimTet Catalogue Id: AEKF_v1_0 Nature of problem The integration of the Green's function over the Brillouin zone appears in the computations of many physical quantities in solid-state physics. Versions of this program held in the CPC repository in Mendeley Data AEKF_v1_0; SimTet; 10.1016/j.cpc.2011.08.022 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/hp9bp5dsnr.1
title: SHARE: Statistical hadronization with resonances

description: Abstract SHARE is a collection of programs designed for the statistical analysis of particle production in relativistic heavy-ion collisions. With the physical input of intensive statistical parameters, it generates the ratios of particle abundances. The program includes cascade decays of all confirmed resonances from the Particle Data Tables. The complete treatment of these resonances has been known to be a crucial factor behind the success of the statistical approach. An optional feature implemented... Title of program: SHARE, October 2004, version 1.2 Catalogue Id: ADVD_v1_0 Nature of problem Statistical analysis of particle production in relativistic heavy-ion collisions involves the formation and the subsequent decays of a large number of resonances. With the physical input of thermal parameters, such as the temperature and fugacities, and considering cascading decays, along with weak interaction feed-down corrections, the observed hadron abundances are obtained. SHARE incorporates diverse physical approaches, with a flexibility of choice of the details of the statistical hadroniza ... Versions of this program held in the CPC repository in Mendeley Data ADVD_v1_0; SHARE, October 2004, version 1.2; 10.1016/j.cpc.2005.01.004 ADVD_v2_0; SHAREv2; 10.1016/j.cpc.2006.07.010 ADVD_v3_0; SHARE with CHARM; 10.1016/j.cpc.2014.02.026 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/mtt2g3sjbt.1
title: Symbolic computation of hyperbolic tangent solutions for nonlinear differential–difference equations

description: Abstract A new algorithm is presented to find exact traveling wave solutions of differential–difference equations in terms of tanh functions. For systems with parameters, the algorithm determines the conditions on the parameters so that the equations might admit polynomial solutions in tanh. Examples illustrate the key steps of the algorithm. Through discussion and example, parallels are drawn to the tanh-method for partial differential equations. The new algorithm is implemented in Mathematica. The p... Title of program: DDESpecialSolutions.m Catalogue Id: ADUJ_v1_0 Nature of problem The program computes exact solutions to differential-difference equations in terms of the tanh function. Such solutions describe particle vibrations in lattices, currents in electrical networks, pulses in biological chains, etc. Versions of this program held in the CPC repository in Mendeley Data ADUJ_v1_0; DDESpecialSolutions.m; 10.1016/j.cpc.2004.07.002 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/nvgsb4dgg5.1
title: Numerical integration over a spherical shell

description: Abstract A numerical integration rule is given for the calculation of three dimensional integrals on a spherical coordinate grid: integrals are considered as a weighted sum of integrand values. The program computes the points of the grid where the functions are to be determined and the associated weights. Two examples of integration are performed to normalize and integrate a numerical function. Title of program: R3DGL Catalogue Id: ABFT_v1_0 Nature of problem A numerical integration rule is given for the calculation of three dimensional integrals on a spherical coordinate grid: integrals are considered as a weighted sum of integrand values. The program computes the points of the grid where the functions are to be determined and the associated weights. An example of integration is performed to normalize a numerical function. Versions of this program held in the CPC repository in Mendeley Data ABFT_v1_0; R3DGL; 10.1016/0010-4655(89)90115-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)