cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/grxbsdf9dp.1
title: RGIsearch: A C++ program for the determination of renormalization group invariants

description: Abstract RGIsearch is a C++ program that searches for invariants of a user-defined set of renormalization group equations. Based on the general shape of the β -functions of quantum field theories, RGIsearch searches for several types of invariants that require different methods. Additionally, it supports the computation of invariants up to two-loop level. A manual for the program is given, including the settings and set-up of the program, as well as a test case. Title of program: RGIsearch Catalogue Id: AEZQ_v1_0 Nature of problem The determination of renormalization group invariants, which can be used as a probe for the high-energy behaviour of theories in particle physics. Versions of this program held in the CPC repository in Mendeley Data AEZQ_v1_0; RGIsearch; 10.1016/j.cpc.2016.02.002 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/hhwg79t5bd.1
title: micrOMEGAs: A program for calculating the relic density in the MSSM

description: Abstract We present a code that calculates the relic density of the lightest supersymmetric particle (LSP) in the minimal supersymmetric standard model. All tree-level processes for the annihilation of the LSP are included as well as all possible coannihilation processes with neutralinos, charginos, sleptons, squarks and gluinos. In all we have included over 2800 processes not counting charged conjugate states. The cross-sections extracted from CompHEP are calculated exactly. Relativistic formulae for... Title of program: micrOMEGAs Catalogue Id: ADQR_v1_0 Nature of problem Calculation of the relic density of the lightest supersymmetric particle particle in the MSSM. Versions of this program held in the CPC repository in Mendeley Data ADQR_v1_0; micrOMEGAs; 10.1016/S0010-4655(02)00596-9 ADQR_v1_3; micrOMEGAs1.3; 10.1016/j.cpc.2005.12.005 ADQR_v2_0; micrOMEGAs2.0; 10.1016/j.cpc.2006.11.008 ADQR_v2_1; micrOMEGAs2.1; 10.1016/j.cpc.2007.08.002 ADQR_v2_2; micrOMEGAs2.2; 10.1016/j.cpc.2008.11.019 ADQR_v2_3; micrOMEGAs2.4; 10.1016/j.cpc.2010.11.033 ADQR_v3_0; micrOMEGAs3; 10.1016/j.cpc.2013.10.016 ADQR_v4_0; MicrOMEGAs4.1; 10.1016/j.cpc.2015.03.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/hty66ngw5g.1
title: Linear response approach to collective electronic excitations of solids and surfaces

description: Abstract We have developed a parallel computer program for the study of dynamic response of periodic systems. It computes the linear response of an interacting many-electron system from its ground-state electronic structures, which are obtained from ab initio band structure calculations in the plane-wave and pseudopotential scheme. As test examples, we applied this program to calculate the linear response of bulk aluminum and a beryllium monolayer. The excitation spectra show prominent plasmon resonan... Title of program: Dresponse Catalogue Id: AECK_v1_0 Nature of problem The dynamic response of bulk and surface systems. It is usually dominated by collective electronic excitations (plasmons) at low-energy range. Versions of this program held in the CPC repository in Mendeley Data AECK_v1_0; Dresponse; 10.1016/j.cpc.2008.10.019 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/nc8fbzkpkn.1
title: Monte Carlo code bamjet to simulate the fragmentation of quark and diquark jets

description: Title of program: BAMJET Catalogue Id: ACFQ_v1_0 Nature of problem In high energy electron-positron, lepton-nucleon and hadron-hadron collisions quark and diquark jets are produced. The Monte Carlo code BAMJET simulates the hadronization of single (anti-) quark and (anti-) diquark jets as well as the fragmentation of complete quark-antiquark, (anti-) quark - (anti-) diquark and diquark-antidiquark two jet events into hadrons on the basis of a phenomenological chain decay model. Versions of this program held in the CPC repository in Mendeley Data ACFQ_v1_0; BAMJET; 10.1016/0010-4655(84)90022-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/rtt9rc2v8n.1
title: Prolate angular spheroidal wave functions

description: Title of program: PASWFN Catalogue Id: ACEZ_v1_0 Nature of problem The prolate angular spheroidal wave functions are required in problems concerning the angular aspects of the solution of the Schrodinger equation in a two centre frame. The package PASWFN contains six subprograms which compute these functions of the first kind (the functions of the second kind are of minor physical interest) for any argument and accuracy. Versions of this program held in the CPC repository in Mendeley Data ACEZ_v1_0; PASWFN; 10.1016/0010-4655(83)90061-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/s9g8t6tctg.1
title: An analytical benchmark and a Mathematica program for MD codes: Testing LAMMPS on the 2nd generation Brenner potential

description: Abstract An analytical benchmark and a simple consistent Mathematica program are proposed for graphene and carbon nanotubes, that may serve to test any molecular dynamics code implemented with REBO potentials. By exploiting the benchmark, we checked results produced by LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) when adopting the second generation Brenner potential, we made evident that this code in its current implementation produces results which are offset from those of the b... Title of program: MDBenchmarks Catalogue Id: AFAS_v1_0 Nature of problem Testing commercial or open-source molecular dynamics codes implementing off-the-shelf REBO potentials on an analytical benchmark. Versions of this program held in the CPC repository in Mendeley Data AFAS_v1_0; MDBenchmarks; 10.1016/j.cpc.2016.06.005 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/sbbjz4csbw.1
title: Motion4D-library extended

description: Abstract The new version of the Motion4D-library now also includes the integration of a Sachs basis and the Jacobi equation to determine gravitational lensing of pointlike sources for arbitrary spacetimes. Title of program: Motion4D-library Catalogue Id: AEEX_v3_0 Nature of problem Solve geodesic equation, parallel and Fermi-Walker transport in four-dimensional Lorentzian spacetimes. Determine gravitational lensing by integration of Jacobi equation and parallel transport of Sachs basis. Versions of this program held in the CPC repository in Mendeley Data AEEX_v1_0; Motion4D-library; 10.1016/j.cpc.2009.07.014 AEEX_v2_0; Motion4D-library; 10.1016/j.cpc.2009.10.021 AEEX_v3_0; Motion4D-library; 10.1016/j.cpc.2011.02.009 AEEX_v3_1; Motion4D-library; 10.1016/j.cpc.2014.04.020 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/spj67zyhhk.1
title: Further developments in the noniterative method of solving PDE's in electron scattering

description: Abstract Our previous program to solve noniteratively two-dimensional (2D) partial differential equations (PDE's) using a 3-point second-order difference formula is generalized to apply to higher-dimensional PDE's using higher-order difference formulae. This has the effect of generalizing the basic matrix from block tridiagonal to a banded matrix whose width depends on the dimensionally and the difference order desired. The banded matrix is converted to a lower times an upper triangular matrix by a ge... Title of program: SEPDE3 Catalogue Id: ACJB_v1_0 Nature of problem The program will compute a noniterative solution of any two or three dimensional elliptic partial differential equation with rectangular boundary conditions. There are no restrictions on the type of differences used to represent the derivatives or the number of different boundary values that are specified. Coupled equations as well as equations using a higher order than second partial derivative operator, such as the biharmonic operator, also lend themselves to solution using this method. The ma ... Versions of this program held in the CPC repository in Mendeley Data ACJB_v1_0; SEPDE3; 10.1016/0010-4655(92)90017-S This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/w4rkknjkvk.1
title: Determination of interacting configurations

description: Title of program: INTERACTING CONFIGURATIONS Catalogue Id: ACFZ_v1_0 Nature of problem Within the framework of Hartree-Fock theory, the atomic structure of states with few electrons (or equivalently few vacancies) in addition to closed shells is best described by a 'mixture' of configurations. The corresponding wavefunction is then constructed as a superposition of coupled configuration state functions involving orbital functions from a given basis set. The purpose of this program is to select the corresponding configurations that may interact with a given reference configuration. ... Versions of this program held in the CPC repository in Mendeley Data ACFZ_v1_0; INTERACTING CONFIGURATIONS; 10.1016/0010-4655(84)90026-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/3kwpb25wvw.1
title: The OLYMPUS Fortran compositor

description: Title of program: COMPOS Catalogue Id: ACEA_v1_0 Nature of problem The COMPOSITOR is a word-processing program that converts a free-format Fortran input file to standardized OLYMPUS form. It is used for the semi-automatic construction and maintenance of OLYMPUS software, and can also be used for tidying-up existing Fortran codes in order to make them better structured and more readable. A variety of comment styles is allowed for. Versions of this program held in the CPC repository in Mendeley Data ACEA_v1_0; COMPOS; 10.1016/0010-4655(83)90026-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/4592wzrvct.1
title: MF-FIRE — A multifrequency radiative transfer hydrodynamics code

description: Title of program: MF-FIRE Catalogue Id: ACDV_v1_0 Nature of problem Inertial confinement fusion target explosions emit energy in the form of neutrons, X-rays, and ionic debris. If the explosion is contained in a vessel filled with gas, the X-rays and ionic debris are stopped in the gas, forming a microfireball. The MF-Fire code computes the attenuation of the target X-rays and debris in this gas and computes the radiation-hydrodynamic response of the microfireball. Versions of this program held in the CPC repository in Mendeley Data ACDV_v1_0; MF-FIRE; 10.1016/0010-4655(85)90055-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/4k8knv28ky.1
title: Two centre overlap integrals of numerical wavefunctions

description: Abstract The two-centre overlap integrals are very often encountered when one attempts to calculate the physical and chemical properties of multi-atomic aggregates. It is well known that accurate atomic wave functions are easily obtained by numerically solving the Hartree—Fock equations. However, the numerical wave functions are of little use for molecules, liquids and solids because of the difficulty in evaluating integrals which involve the wave functions centred at different atoms. We hope this ... Program title: TCOI Catalogue ID: ACEF_v1_0 Nature of problem The overlap integrals between the two orbitals expressed with numerical wave functions are determined using Lowdin's technique as developed by Sharma. Versions of this program held in the CPC repository in Mendeley Data ACEF_v1_0; TCQI; 10.1016/0010-4655(83)90029-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/5pt2rszd57.1
title: Erika—A program for the decomposition of line spectra

description: Title of program: ERIKA Catalogue Id: ACEH_v1_0 Nature of problem After having measured a real line spectrum, it is necessary to decompose it into particular lines. The present program performs this task and supplies the positions and heights of all peaks. Versions of this program held in the CPC repository in Mendeley Data ACEH_v1_0; ERIKA; 10.1016/0010-4655(83)90072-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/6h2n8fhnpf.1
title: Boreas: A program for 1-D ideal fluid dynamics with shocks

description: Title of program: BOREAS Catalogue Id: ACFK_v1_0 Nature of problem The purpose of BOREAS is to calculate ideal fluid dynamics with shocks. A one-dimensional hydrodynamic model based on the mass, momentum and total energy conservation laws is used. Optionally a gravitational force field may be taken into account and the equation of the total energy conservation may be replaced by the pressure equation. Versions of this program held in the CPC repository in Mendeley Data ACFK_v1_0; BOREAS; 10.1016/0010-4655(84)90078-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/84sy9strs8.1
title: Accelerating scientific computations with mixed precision algorithms

description: Abstract On modern architectures, the performance of 32-bit operations is often at least twice as fast as the performance of 64-bit operations. By using a combination of 32-bit and 64-bit floating point arithmetic, the performance of many dense and sparse linear algebra algorithms can be significantly enhanced while maintaining the 64-bit accuracy of the resulting solution. The approach presented here can apply not only to conventional processors but also to other technologies such as Field Programmab... Title of program: ITER-REF Catalogue Id: AECO_v1_0 Nature of problem On modern architectures, the performance of 32-bit operations is often at least twice as fast as the performance of 64-bit operations. By using a combination of 32-bit and 64-bit floating point arithmetic, the performance of many dense and sparse linear algebra algorithms can be significantly enhanced while maintaining the 64-bit accuracy of the resulting solution. Versions of this program held in the CPC repository in Mendeley Data AECO_v1_0; ITER-REF; 10.1016/j.cpc.2008.11.005 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/87snfkmtz6.1
title: A FORTRAN code for the scattering of EM plane waves by an infinitely long cylinder at oblique incidence

description: Abstract The analytical equations for the scattering of electromagnetic (EM) waves from an infinitely long cylinder of arbitrary radius and refractive index at oblique incidence are programmed in FORTRAN. The calculated quantities include the scattering coefficients, the scattering amplitudes and intensities, cross sections for scattering and extinction, and the Mueller scattering matrix elements (S_(ij)). The range of the input parameters (radius, refractive index, and the tilt angle) are discussed... Title of program: ASMAA Catalogue Id: ACGQ_v1_0 Nature of problem This program calculates the Mueller scattering matrix elements (Sij), the extinction and scattering cross sections per unit length, and the squares for the scattered amplitudes of plane waves incident obliquely on a cylinder. The cylinder is infinitely long and has a circular cross section. The material and the radius are arbitrary. Versions of this program held in the CPC repository in Mendeley Data ACGQ_v1_0; ASMAA; 10.1016/0010-4655(92)90178-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/dfyywg3zkb.1
title: A highly optimized code for calculating atomic data at neutron star magnetic field strengths using a doubly self-consistent Hartree–Fock–Roothaan method

description: Abstract Our previously published code for calculating energies and bound–bound transitions of medium- Z elements at neutron star magnetic field strengths [D. Engel, M. Klews, G. Wunner, Comp. Phys. Comm. 180, 3-2-311 (2009)] was based on the adiabatic approximation. It assumes a complete decoupling of the (fast) gyration of the electrons under the action of the magnetic field and the (slow) bound motion along the field under the action of the Coulomb forces. For the single-particle orbitals this im... Title of program: HFFERII Catalogue Id: AECC_v2_1 Nature of problem Quantitative modellings of features observed in the X-ray spectra of isolated magnetic neutron stars are hampered by the lack of sufficiently large and accurate databases for atoms and ions up to the last fusion product, iron, at strong magnetic field strengths. Our code is intended to provide a powerful tool for calculating energies and oscillator strengths of medium-Z atoms and ions at neutron star magnetic field strengths with sufficient accuracy in a routine way to create such databases. Versions of this program held in the CPC repository in Mendeley Data AECC_v1_0; HFFEM; 10.1016/j.cpc.2008.09.008 AECC_v2_0; HFFERII; 10.1016/j.cpc.2012.02.011 AECC_v2_1; HFFERII; 10.1016/j.cpc.2014.02.007 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/f65jzdzgcr.1
title: ICCG2: Subprograms for the solution of a linear symmetric matrix equation arising from a 9-point discretization

description: Title of program: ICCG2 Catalogue Id: ACEV_v1_0 Nature of problem Elliptic and parabolic partial differential equations which arise in plasma physics applications (as well as in others) are solved in two dimensions. Plasma diffusion, equilibria, and phase space transport (Fokker-Planck equation) have been treated by these methods. These problems share the common feature of being stiff and requiring implicit solution techniques. Sometimes, the resulting matrix equations are symmetric; we solve them here with the ICCG2 coding. In a previous article we described ... Versions of this program held in the CPC repository in Mendeley Data ACEV_v1_0; ICCG2; 10.1016/0010-4655(83)90120-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/g6nnvswrxr.1
title: Vofi — A library to initialize the volume fraction scalar field

description: Abstract The Vofi library has been developed to accurately calculate the volume fraction field demarcated by implicitly-defined fluid interfaces in Cartesian grids with cubic cells. The method enlists a number of algorithms to compute the integration limits and the local height function, that is the integrand of a double Gauss–Legendre integration with a variable number of nodes. Tests in two and three dimensions are presented to demonstrate the accuracy of the method and are provided in the software ... Title of program: VOFI Catalogue Id: AEYT_v1_0 Nature of problem The library computes the volume fraction of a cubic grid cell cut by an interface described by an implicit function. Versions of this program held in the CPC repository in Mendeley Data AEYT_v1_0; VOFI; 10.1016/j.cpc.2015.10.026 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/pkdb8sxxck.1
title: Amplitudes for scattering of electrons by atomic systems including relativistic effects

description: Title of program: SCATTAMPREL Catalogue Id: ACFE_v1_0 Nature of problem SCATTAMPREL calculates scattering amplitudes for the electron atom scattering process. The scattering amplitudes provide all possible information about the scattering process. Versions of this program held in the CPC repository in Mendeley Data ACFE_v1_0; SCATTAMPREL; 10.1016/0010-4655(83)90078-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/pnng68yjm2.1
title: Global fit of ab initio potential energy surfaces: II.2. Tetratomic systems A 2 B 2 and ABC 2

description: Abstract Global potential energy surfaces (GPES) for tetratomic molecular systems, containing at least one group of two identical nuclei, which fit ab initio data can be obtained preserving the accuracy of the ab initio points. The permutational symmetry of the potential, corresponding to the two identical nuclei, is treated analytically in this new version of the previous published program GFIT4C (Computer Physics Communications catalogue number: ADNB). The global fit obtained fulfills the stringent ... Title of program: GFIT4C-2 Catalogue Id: ADOV_v1_0 Nature of problem Given a set of ab initio points of a molecular system with N atoms, the problem is to obtain a golbal analytical (3N - 6)-dimensional representation of the corresponding adiabatic potential having all the symmetry properties of the system and satisfying the stringent criteria [1] needed in molecular dynamical calculations. In Part II.1 [4] of this series we have dealt with the tetratomic system class ABCD and six-dimensional (6D) representation (program GFIT4C). In the present Part II.2 we treat ... Versions of this program held in the CPC repository in Mendeley Data ADOV_v1_0; GFIT4C-2; 10.1016/S0010-4655(01)00289-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/wm9vwwnkjn.1
title: A MAPLE program for calculations with Schur functions

description: Abstract We describe an interactive program, to be used in the MAPLE environment, for calculations involving Schur functions. The program performs Schur function operations of interest to applications in many-body physics: outer product, internal product, division and outer plethysm. Essential to the program is a new algorithm for the multiplication of monomial symmetric functions, which is used to implement the evaluation of outer product and outer plethysm. The same algorithm is extended to apply to... Title of program: SCHUROPERA Catalogue Id: ADPF_v1_0 Nature of problem Most common operations involving Schur functions, which are widely applied, in particular to many-body physics. Versions of this program held in the CPC repository in Mendeley Data ADPF_v1_0; SCHUROPERA; 10.1016/S0010-4655(01)00402-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.5281/zenodo.3564256
title: TESS-AUGUST-2019

description: Measurements taken by the European Photometer Network (Project STARS4ALL). August 2019
DOI: 10.17632/369zzd9xdz.1
title: An expansion of complicated functions using Chebyshev polynomials suitable for fast calculation

description: Title of program: FUNEXP Catalogue Id: ACEE_v1_0 Nature of problem When solving physical and mathematical problems on a computer, one or more complicated functions may have to be evaluated a great number of times. For the sake of computational efficiency it is then desirable to have a fast and compact algorithm for the evaluation of such functions. Versions of this program held in the CPC repository in Mendeley Data ACEE_v1_0; FUNEXP; 10.1016/0010-4655(83)90006-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)