cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/k5t6c7dnd2.1
title: An algorithm for the calculation of the partial wave expansion of the Coulomb-distorted plane wave

description: Abstract The partial wave expansion of the Coulomb-distorted plane wave is determined by the help of the complex generalized hypergeometric function <sup>2</sup><sup>F2</sup>(a,a;a+l+1,a-l;z). An algorithm for the calculation of <sup>2</sup><sup>F2</sup>(a,a;a+l+1,a-l;z) is created and it is implemented as a FORTRAN-90 code. The code is fast and its accuracy is 14 significant decimal digits. Title of program: Hyp2F2spec_v1 Catalogue Id: AEXR_v1_0 Nature of problem The partial wave expansion of the Coulomb distorted plane wave is given by a generalized hypergeometric function with special indexes. An algorithm is developed for the calculation of this function. Versions of this program held in the CPC repository in Mendeley Data AEXR_v1_0; Hyp2F2spec_v1; 10.1016/j.cpc.2015.08.018 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/rpj263hsbc.1
title: SLIMP: Strong laser interaction model package for atoms and molecules

description: Abstract We present the SLIMP package, which provides an efficient way for the calculation of strong-field ionization rate and high-order harmonic spectra based on the single active electron approximation. The initial states are taken as single-particle orbitals directly from output files of the general purpose quantum chemistry programs GAMESS, Firefly and Gaussian. For ionization, the molecular Ammosov-Delone-Krainov theory, and both the length gauge and velocity gauge Keldysh-Faisal-Reiss theories ... Title of program: SLIMP Catalogue Id: AEWE_v1_0 Nature of problem In modeling of atoms and molecules subjected to intense laser pulses, there is a general need for the calculation of theoretical models. However, the application of these models requires the effective evaluation of orbital coordinates wavefunction, momentum wavefunction, orbital dipole moment or calculation of orbital integrations. This package provides an efficient way for these calculations directly from the output files of the widely used GAMESS, Firefly and Gaussian programs. Versions of this program held in the CPC repository in Mendeley Data AEWE_v1_0; SLIMP; 10.1016/j.cpc.2015.02.031 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/ryfz29dbhd.1
title: Multithreaded transactions in scientific computing. The Growth06_v2 program

description: Abstract Writing a concurrent program can be more difficult than writing a sequential program. Programmer needs to think about synchronization, race conditions and shared variables. Transactions help reduce the inconvenience of using threads. A transaction is an abstraction, which allows programmers to group a sequence of actions on the program into a logical, higher-level computation unit. This paper presents a new version of the GROWTHGr and GROWTH06 programs. Title of program: GROWTH06_v2 Catalogue Id: ADVL_v2_1 Nature of problem The programs compute the RHEED intensities during the growth of thin epitaxial structures prepared using the molecular beam epitaxy (MBE). The computations are based on the use of kinematical diffraction theory. Versions of this program held in the CPC repository in Mendeley Data ADVL_v1_0; GROWTH; 10.1016/j.cpc.2005.04.005 ADVL_v2_0; GROWTHgr, GROWTH06; 10.1016/j.cpc.2006.06.013 ADVL_v2_1; GROWTH06_v2; 10.1016/j.cpc.2009.01.024 ADVL_v3_0; Growth09; 10.1016/j.cpc.2009.11.011 ADVL_v4_0; GrowthCP; 10.1016/j.cpc.2011.02.014 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/sdg8gp523x.1
title: The Feynman tools for quantum information processing: Design and implementation

description: Abstract The Feynman tools have been re-designed with the goal to establish and implement a high-level (computer) language that is capable to deal with the physics of finite, n-qubit systems, from frequently required computations to mathematically advanced tasks in quantum information processing. In particular, emphasis has been placed to introduce a small but powerful set of keystring-driven commands in order to support both, symbolic and numerical computations. Though the current design is implement... Title of program: FEYNMAN Catalogue Id: AESG_v1_0 Nature of problem Quantum information processing and quantum control require a careful preparation and analysis of quantum states. For such an analysis and for implementing new protocols, various computational tasks need to be performed frequently, such as the construction, manipulation and estimation of quantum states, the display of quantum amplitudes and probability distributions, the evaluation of quantum measures and quantum operations, the decomposition of operators into different representations, or the si ... Versions of this program held in the CPC repository in Mendeley Data AESG_v1_0; FEYNMAN; 10.1016/j.cpc.2014.02.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/vwvx6jpyzc.1
title: GDF: A tool for function estimation through grammatical evolution

description: Abstract This article introduces a tool for data fitting that is based on genetic programming and especially on the grammatical evolution technique. The user needs to input a series of points and the accompanied dimensionality n and the tool will produce via the genetic programming paradigm a function f : R ^n→ R which is an approximate solution to the symbolic regression problem. The tool is entirely written in ANSI C++ and it can be installed in any UNIX system. Title of program: GDF Catalogue Id: ADXC_v1_0 Nature of problem Function estimation through grammatical evolution. Versions of this program held in the CPC repository in Mendeley Data ADXC_v1_0; GDF; 10.1016/j.cpc.2005.11.003 ADXC_v2_0; GDF v2.0; 10.1016/j.cpc.2007.08.008 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.5281/zenodo.3967023
title: Georeferenced IFC files exported within the GeoBIM benchmark 2019 - Task 2

description: Result of the georeferencing test performed within the Task 2 - georeferencing IFC of the GeoBIM benchmark 2019, funded as a Scientific Initiative 2019 by the International Society of Photogrammetry and Remote Sensing (ISPRS) and co-funded by the European association for Spatial Data Research (EuroSDR). Full details and additional resources about the project are available in the project website: https://3d.bk.tudelft.nl/projects/geobim-benchmark/ The dataset results from the collaboration of the authors with all the participants to the benchmark, listed at https://3d.bk.tudelft.nl/projects/geobim-benchmark/participants.html
DOI: 10.17632/2yhw62v9bk.1
title: A software program to investigate the nucleation kinetics of solution grown crystals using MATLAB platform

description: Abstract A software program has been developed on the MATLAB platform, which is useful for studying the nucleation kinetics of crystals grown from solutions. Nucleation parameters such as interfacial energy (σ), metastable zone width (ΔT_(max)), volume free energy (ΔG_v ), critical energy barrier for nucleation (ΔG*), radius of the critical nucleus (r*) and nucleation rate (J) of the crystals are determined from classical nucleation theory. The Metastable Zone Width (MZW) of the crystals is explored... Title of program: Nucleation Catalogue Id: AERG_v1_0 Nature of problem In crystal growth, the knowledge of nucleation thermodynamical parameters like interfacial energy, meta-stable zone width (supercooling temperature), volume free energy, critical energy barrier for nucleation, radius of critical nucleus and nucleation rates are essential for the growth of good quality bulk single crystals. In these parameters, metastable zone width determination is very useful for growth. Also some curve fitting tool is needed to obtain more information about nucleation kinetics ... Versions of this program held in the CPC repository in Mendeley Data AERG_v1_0; Nucleation; 10.1016/j.cpc.2013.10.010 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/4w3v86xgc4.1
title: ERMES: A nodal-based finite element code for electromagnetic simulations in frequency domain

description: Abstract In this work we present a new finite element code in frequency domain called ERMES. The novelty of this computational tool rests on the formulation behind it. ERMES is the C++ implementation of a simplified version of the weighted regularized Maxwell equation method. This finite element formulation has the advantage of producing well-conditioned matrices and the capacity of solving problems in the low (quasi-static) and high frequency regimens. As a consequence of this versatility, ERMES has ... Title of program: ERMES Catalogue Id: AEPV_v1_0 Nature of problem Time-harmonic Maxwell equations Versions of this program held in the CPC repository in Mendeley Data AEPV_v1_0; ERMES; 10.1016/j.cpc.2013.06.010 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/7dkxhgrcwz.1
title: Simulation of ultra-high energy photon propagation in the geomagnetic field

description: Abstract The identification of primary photons or specifying stringent limits on the photon flux is of major importance for understanding the origin of ultra-high energy (UHE) cosmic rays. UHE photons can initiate particle cascades in the geomagnetic field, which leads to significant changes in the subsequent atmospheric shower development. We present a Monte Carlo program allowing detailed studies of conversion and cascading of UHE photons in the geomagnetic field. The program named PRESHOWER can be ... Title of program: PRESHOWER 1.0 Catalogue Id: ADWG_v1_0 Nature of problem Simulation of a cascade of particles initiated by UHE photon passing through the geomagnetic field above the Earth's atmosphere. Versions of this program held in the CPC repository in Mendeley Data ADWG_v1_0; PRESHOWER 1.0; 10.1016/j.cpc.2005.07.001 ADWG_v2_0; PRESHOWER 2.0; 10.1016/j.cpc.2013.01.015 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/7fjf67p3b5.1
title: Lanthanide crystal field fitting routine

description: Title of program: CRYSTAL FIELD AND G VALUE Catalogue Id: ACAB_v1_0 Nature of problem The electronic states of paramagnetic ions in crystals are split by the electric field from other ions. These splittings may be fitted by a suitable choice of crystal field parameters. The routine performs this fit and outputs a comparison of experimental and theoretical energies, and also (as required) g-values and wavefunctions for the crystal field states. Versions of this program held in the CPC repository in Mendeley Data ACAB_v1_0; CRYSTAL FIELD AND G VALUE; 10.1016/0010-4655(71)90052-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/9chn85ggs4.1
title: SLHAplus: A library for implementing extensions of the standard model

description: Abstract We provide a library to facilitate the implementation of new models in codes such as matrix element and event generators or codes for computing dark matter observables. The library contains an SLHA reader routine as well as diagonalisation routines. This library is available in CalcHEP and micrOMEGAs. The implementation of models based on this library is supported by LanHEP and FeynRules. Title of program: SLHAplus_1.1 Catalogue Id: AEHX_v1_0 Nature of problem Implementation of extensions of the standard model in matrix element and event generators and codes for dark matter observables. Versions of this program held in the CPC repository in Mendeley Data AEHX_v1_0; SLHAplus_1.1; 10.1016/j.cpc.2010.10.025 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/nvfbbr9y2d.1
title: NMHDECAY 2.1: An updated program for sparticle masses, Higgs masses, couplings and decay widths in the NMSSM

description: Abstract We describe the improved properties of the NMHDECAY program, that is designed to compute Higgs and sparticle masses and Higgs decay widths in the NMSSM. In the version 2.0, Higgs decays into squarks and sleptons are included, accompanied by a calculation of the squark, gluino and slepton spectrum and tests against constraints from LEP and the Tevatron. Further radiative corrections are included in the Higgs mass calculation. A link to MicrOMEGAs allows to compute the dark matter relic density... Title of program: NMHDECAY_SCAN, NMHDECAY_SLHA Catalogue Id: ADXW_v1_0 Nature of problem Computation of the Higgs and sparticle spectrum in the NMSSM and check of theoretical and experimental constraints. Versions of this program held in the CPC repository in Mendeley Data ADXW_v1_0; NMHDECAY_SCAN, NMHDECAY_SLHA; 10.1016/j.cpc.2006.04.004 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/s6gdxvhppk.1
title: ExHuME 1.3: A Monte Carlo event generator for exclusive diffraction

description: Abstract We have written the Exclusive Hadronic Monte Carlo Event (ExHuME) generator. ExHuME is based around the perturbative QCD calculation of Khoze, Martin and Ryskin of the process p p → p + X + p , where X is a centrally produced colour singlet system. Title of program: ExHuME Catalogue Id: ADYA_v1_0 Nature of problem Central exclusive production offers the opportunity to study particle production in a uniquely clean environment for a hadron collider. This program implements the KMR model [5], which is the only fully perturbative model of exclusive production. Versions of this program held in the CPC repository in Mendeley Data ADYA_v1_0; ExHuME; 10.1016/j.cpc.2006.04.005 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/sz7p5s735p.1
title: CORSIKA implementation of heavy quark production and propagation in extensive air showers

description: Abstract Heavy quarks are commonly produced in current accelerator experiments. Hence it is natural to think that they should be likewise created in collisions with larger center of mass energies like the ones involving ultra-high energy cosmic rays and atmospheric nuclei. Despite this fact, a detailed treatment of heavy hadrons is missing in Monte Carlo generators of Extensive Air Showers (EAS). It is a must to improve the description of how heavy flavors appear and evolve in atmospheric showers. Wit... Title of program: corsika-6990-Heavy Catalogue Id: AERC_v1_0 Nature of problem Charmed and bottom hadron production and propagation inside Extensive Air Showers. Versions of this program held in the CPC repository in Mendeley Data AERC_v1_0; corsika-6990-Heavy; 10.1016/j.cpc.2013.09.025 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/v9xr6yrh5v.1
title: GGRESRC: A Monte Carlo generator for the two-photon process e + e − → e + e − R ( J P C = 0 − + ) in the single-tag mode

description: Abstract The Monte Carlo event generator GGRESRC is described. The generator is developed for the simulation of events of the two-photon process ^(e+e-)→^(e+e-)R, where R is a pseudoscalar resonance, ^(π0), η, ^(η′), ^(ηc), or ^(ηb). The program is optimized for the generation of two-photon events in the single-tag mode. For single-tag events, radiative correction simulation is implemented in the generator including photon emission from the initial and final states. Title of program: GGRESRC Catalogue Id: AEQB_v1_0 Nature of problem Simulation of the e + e - experiment on measurement of the pseudoscalar meson-photon transition formfactors in the single tag mode Versions of this program held in the CPC repository in Mendeley Data AEQB_v1_0; GGRESRC; 10.1016/j.cpc.2013.07.017 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/xkj9rpnz32.1
title: Three-body systems with Coulomb interaction. Bound and quasi-bound S -states

description: Abstract A simple Mathematica (versions 7–9) code for computing S -state energies and wave functions of three-particles systems is presented. The relevant systems include two-electron atoms, molecular electronic ions and mesomolecular exotic species. In addition to the bound S -states the code enables one to compute the positions and widths of the lowest resonance, quasi-bound, states. The elegant technique derived from the classical papers of Pekeris is applied. The basis functions are composed o... Title of program: ThreeBSCbSSR Catalogue Id: AEPU_v1_0 Nature of problem The Schrödinger equation for three-body system 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 AEPU_v1_0; ThreeBSCbSSR; 10.1016/j.cpc.2013.06.013 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/3r77rhd5ms.1
title: Three-dimensional interactive Molecular Dynamics program for the study of defect dynamics in crystals

description: Abstract The study of crystal defects and the complex processes underlying their formation and time evolution has motivated the development of the program ALINE for interactive molecular dynamics experiments. This program couples a molecular dynamics code to a Graphical User Interface and runs on a UNIX-X11 Window System platform with the MOTIF library, which is contained in many standard Linux releases. ALINE is written in C, thus giving the user the possibility to modify the source code, and, at the... Title of program: ALINE, an Atomic Laboratory for Interactive Numerical Experiments. Catalogue Id: ADYJ_v1_0 Nature of problem Some phenomena involving defects take place inside three-dimensional crystals at times which can be hardly predicted. For this reason they are difficult to detect and track even within numerical experiments, especially when one is interested in studying their dynamical properties and time evolution. Furthermore, traditional simulation methods require the storage of a huge amount of data which in turn may imply a long work for their analysis. Versions of this program held in the CPC repository in Mendeley Data ADYJ_v1_0; ALINE, an Atomic Laboratory for Interactive Numerical Experiments.; 10.1016/j.cpc.2006.07.019 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/5cffwxxv7t.1
title: FracSym: Automated symbolic computation of Lie symmetries of fractional differential equations

description: Abstract In this paper, we present an algorithm for the systematic calculation of Lie point symmetries for fractional order differential equations (FDEs) using the method as described by Buckwar & Luchko (1998) and Gazizov, Kasatkin & Lukashchuk (2007, 2009, 2011). The method has been generalised here to allow for the determination of symmetries for FDEs with n independent variables and for systems of partial FDEs. The algorithm has been implemented in the new MAPLE package FracSym (Jefferson and Ca... Title of program: FracSym Catalogue Id: AERA_v1_0 Nature of problem Determination of the Lie point symmetries of fractional differential equations (FDEs). Versions of this program held in the CPC repository in Mendeley Data AERA_v1_0; FracSym; 10.1016/j.cpc.2013.09.019 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/5j3gcd9dkd.1
title: DNAD, a simple tool for automatic differentiation of Fortran codes using dual numbers

description: Abstract DNAD (dual number automatic differentiation) is a simple, general-purpose tool to automatically differentiate Fortran codes written in modern Fortran (F90/ 95/2003) or legacy codes written in previous version of the Fortran language. It implements the forward mode of automatic differentiation using the arithmetic of dual numbers and the operator overloading feature of F90/ 95/2003. Very minimum changes of the source codes are needed to compute the first derivatives of Fortran programs. The ad... Title of program: DNAD Catalogue Id: AEOS_v1_0 Nature of problem Sensitivities of outputs with respect to inputs of a Fortran code are often needed in physics, chemistry, and engineering. The author of the analysis code may no longer be available and the user may not have a deep knowledge of the code. Thus a simple tool is necessary to automatically differentiate the code with very minimum change to the source codes. This can be achieved using dual number arithmetic and operator loading. Versions of this program held in the CPC repository in Mendeley Data AEOS_v1_0; DNAD; 10.1016/j.cpc.2012.12.025 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/5ypv7w7v3d.1
title: New Finsler package

description: Abstract The book “Handbook of Finsler geometry” has been included with a CD containing an elegant Maple package, FINSLER, for calculations in Finsler geometry. Using this package, an example concerning a Finsler generalization of Einstein’s vacuum field equations was treated. In this example, the calculation of the components of the hv-curvature of Cartan connection leads to wrong expressions. On the other hand, the FINSLER package works only in dimension four. We introduce a new Finsler package in w... Title of program: Finsler Catalogue Id: AERE_v1_0 Nature of problem The FINSLER package [2] (included with [1]) has some problems: the wrong calculations of the hv-curvature components of Cartan connection and the non-ability of computing some curvature tensors in dimensions different from four. Moreover, it computes some geometric objects in a non-simplified form. Versions of this program held in the CPC repository in Mendeley Data AERE_v1_0; Finsler; 10.1016/j.cpc.2013.10.024 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/76d3t78m33.1
title: HELAC-Onia 2.0: An upgraded matrix-element and event generator for heavy quarkonium physics

description: Abstract We present an upgraded version (denoted as version 2.0) of the program HELAC-Onia for the automated computation of heavy-quarkonium helicity amplitudes within non-relativistic QCD framework. The new code has been designed to include many new and useful features for practical phenomenological simulations. It is designed for job submissions under cluster environment for parallel computations via Python scripts. We have interfaced HELAC-Onia to the parton shower Monte Carlo programs Pythia 8... Title of program: HELAC-Onia 2.0 Catalogue Id: AEPR_v2_0 Nature of problem Heavy quarkonium production processes provide an important way to investigate QCD in its poorly known non-perturbative regime. Its production mechanism has been attracted extensive interests from the high-energy physics community in decades. The qualitative and quantitative description of heavy-quarkonium production requires complex perturbative computations for high-multiplicity processes in the framework of the well established non-relativistic effecitive theory, NRQCD, and reliable Monte Carl ... Versions of this program held in the CPC repository in Mendeley Data AEPR_v1_0; HELAC-Onia.; 10.1016/j.cpc.2013.05.023 AEPR_v2_0; HELAC-Onia 2.0; 10.1016/j.cpc.2015.09.011 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)