cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/bxcstzt2m3.1
title: Four67, a fast fourier transform package

description: Title of program: FOUR67 Catalogue Id: ABUA_v1_0 Nature of problem FOUR67 performs a finite Fourier analysis or synthesis on a given vector. It can carry out sine analysis or synthesis for odd functions, cosine analysis or synthesis for even functions, and sine and cosine analysis or synthesis for periodic functions. Versions of this program held in the CPC repository in Mendeley Data ABUA_v1_0; FOUR67; 10.1016/0010-4655(71)90045-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/d6pdhxgf8k.1
title: PLATYPUS: A code for reaction dynamics of weakly-bound nuclei at near-barrier energies within a classical dynamical model

description: Abstract A self-contained Fortran-90 program based on a three-dimensional classical dynamical reaction model with stochastic breakup is presented, which is a useful tool for quantifying complete and incomplete fusion, and breakup in reactions induced by weakly-bound two-body projectiles near the Coulomb barrier. The code calculates (i) integrated complete and incomplete fusion cross sections and their angular momentum distribution, (ii) the excitation energy distribution of the primary incomplete-fusi... Title of program: PLATYPUS Catalogue Id: AEIG_v1_0 Nature of problem The program calculates a wide range of observables in reactions induced by weaklybound two-body nuclei near the Coulomb barrier. These include integrated complete and incomplete fusion cross sections and their spin distribution, as well as breakup observables (e.g. the angle, kinetic energy, and relative energy distributions of the fragments). Versions of this program held in the CPC repository in Mendeley Data AEIG_v1_0; PLATYPUS; 10.1016/j.cpc.2010.12.053 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/mkb9scbs73.1
title: SANCnews: Sector f f b b

description: Abstract In this paper we describe the implementation of processes f_1over(f, ̄)_1Z Z → 0 and f_1over(f, ̄)_1H Z → 0 into the framework of SANC system. The f_1stands for a massless fermion f whose mass is kept non-zero only in arguments of ln functions and →0 means that all 4-momenta flow inwards. The derived scalar form factors can be used for any cross channel after an appropriate permutation of their arguments (s, t, u). We present the covariant and helicity amplitudes for these processes... Title of program: SANC Catalogue Id: ADXK_v1_1 Nature of problem Automatic calculation of pseudo- and realistic observables for various processes and decays in the Standard Model of Electroweak interactions, QCD and QED at one-loop precision level. Form factors and helicity amplitudes free of UV divergences are produced. For exclusion of IR singularities the soft photon emission is included. Versions of this program held in the CPC repository in Mendeley Data ADXK_v1_0; SANC; 10.1016/j.cpc.2005.12.006 ADXK_v1_1; SANC; 10.1016/j.cpc.2007.06.006 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/s3dw8c8srv.1
title: eHDECAY: An implementation of the Higgs effective Lagrangian into HDECAY

description: Abstract We present eHDECAY, a modified version of the program HDECAY which includes the full list of leading bosonic operators of the Higgs effective Lagrangian with a linear or non-linear realization of the electroweak symmetry and implements two benchmark composite Higgs models. Title of program: eHDECAY Catalogue Id: AEUJ_v1_0 Nature of problem Numerical calculation of the decay widths and branching ratios of a Higgs like boson within four different parametrisations: the non-linear Lagrangian, the Strongly-Interacting Light Higgs (SILH) Lagrangian and the MCHM4 and MCHM5 Lagrangians. The Fortran program eHDECAY includes the most important higher-order QCD effects and in case of the SILH and composite Higgs parametrisation also the electroweak (EW) higher order corrections. The user furthermore has the possibility to turn off these EW c ... Versions of this program held in the CPC repository in Mendeley Data AEUJ_v1_0; eHDECAY; 10.1016/j.cpc.2014.06.028 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/v7z97sfcnz.1
title: Analytic exchange integral for coupled cluster theory in the homogeneous electron gas

description: Abstract A six-dimensional integral occurring in the description of the ground state of the homogeneous electron gas was calculated analytically. This formula, together with the one of a previous work [G.G. Hoffman, Phys. Rev. B 45 (1992) 8730], reduces from seven to one the dimension of the numerical integrations to be performed in the RPA + RPAEX^({star operator} ( 1 ))approximation for the correlation energy [R.F. Bishop, K.H. Lührmann, Phys. Rev. B 26 (1982) 5523]. Title of program: qexm2em1 Catalogue Id: ADXJ_v1_0 Nature of problem The program gives an analytical derivation of a six-dimensional exchange integral involved in the calculation of the correlation energy of the electron gas. Versions of this program held in the CPC repository in Mendeley Data ADXJ_v1_0; qexm2em1; 10.1016/j.cpc.2005.12.010 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/xvgmm8my7k.1
title: Numerical Regge pole analysis of resonance structures in elastic, inelastic and reactive state-to-state integral cross sections

description: Abstract We present a detailed description of a FORTRAN code for evaluation of the resonance contribution a Regge trajectory makes to the integral state-to-state cross section (ICS) within a specified range of energies. The contribution is evaluated with the help of the Mulholland formula (Macek et al., 2004) and its variants (Sokolovski et al., 2007; Sokolovski and Akhmatskaya, 2011). Regge pole positions and residues are obtained by analytically continuing S-matrix element, evaluated numerically for... Title of program: ICS Regge Catalogue Id: AEST_v1_0 Nature of problem The package extracts the positions and residues of resonance poles from numerical scattering data supplied by the user. This information is then used for the analysis of resonance structures observed in elastic, inelastic and reactive integral cross sections. Versions of this program held in the CPC repository in Mendeley Data AEST_v1_0; ICS Regge; 10.1016/j.cpc.2014.03.030 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/yjdmrmrj8d.1
title: OptQC v1.3: An (updated) optimized parallel quantum compiler

description: Abstract We present a revised version of the OptQC program of Loke et al. (2014) [1]. We have removed the simulated annealing process in favour of a descending random walk. We have also introduced a new method for iteratively generating permutation matrices during the random walk process, providing a reduced total cost for implementing the quantum circuit. Lastly, we have also added a synchronization mechanism between threads, giving quicker convergence to more optimal solutions. New version program s... Title of program: OptQC v1.3 Catalogue Id: AEUA_v1_3 Nature of problem It aims to minimise the number of quantum gates required to implement a given unitary operation. Versions of this program held in the CPC repository in Mendeley Data AEUA_v1_0; <i>OptQC</i>; 10.1016/j.cpc.2014.07.022 AEUA_v1_3; OptQC v1.3; 10.1016/j.cpc.2016.05.028 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/26t8y99dvn.1
title: A data acquisition system for spectroscopy using an IBM PC

description: Abstract A real-time data acquisition computer system has been developed using an IBM PC/XT or PC/AT personal computer. Although the program was specifically written for Raman spectroscopy, it includes many subroutines which are generally useful for laboratory work. The PC coordinates all activities of the system, including photon counting, adjustment of optics within the spectrometer, display of spectra in real time, and analysis of data during acquisition. All of the hardware components are standard... Title of program: SPEX8 Catalogue Id: ABBZ_v1_0 Nature of problem The problem is the development of a flexible real-time data acquisition system controlled by a personal computer. We specifically applied the program to Raman spectroscopy, but the interfacing and timing problems are common in many laboratory applications. Versions of this program held in the CPC repository in Mendeley Data ABBZ_v1_0; SPEX8; 10.1016/0010-4655(88)90191-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/38xm9j67f6.1
title: PDSW: A program for the calculation of photon energy distribution resulting from radioactive elements in seawater

description: Abstract Photons, when emitted from radioactive sources in seawater, are subsequent to multiple scattering mechanisms, namely the photoelectric effect, the Compton scattering and the pair production effect. Thus, the monoenergetic emission of photons in seawater will result in equilibrium in a distribution of photons with different energies. PDSW is a MATLAB program which calculates this distribution and can be found useful for the characterization of measured spectra obtained by gamma detectors such ... Title of program: PDSW Catalogue Id: ADWW_v1_0 Nature of problem Calculation of photon energy distribution in seawater taking into account the photoelectric effect, the Compton scattering and the pair production effect Versions of this program held in the CPC repository in Mendeley Data ADWW_v1_0; PDSW; 10.1016/j.cpc.2005.10.010 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/4g97cjzzyp.1
title: FaCE: a tool for three body Faddeev calculations with core excitation

description: Abstract FaCE is a self contained program, with namelist input, that solves the three body Faddeev equations. It enables the inclusion of excitation of one of the three bodies, whilst the other two remain inert. It is particularly useful for obtaining the binding energies and bound state structure compositions of light exotic nuclei treated as three-body systems, given the three effective two body interactions. A large variety of forms for these interactions may be defined, and supersymmetric transfor... Title of program: FaCE Catalogue Id: ADTW_v1_0 Nature of problem The program calculates eigenenergies and eigenstates for the three body problem by solving the Faddeev equations. Versions of this program held in the CPC repository in Mendeley Data ADTW_v1_0; FaCE; 10.1016/j.cpc.2004.03.007 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/74crxgzn3b.1
title: Simulation of n-qubit quantum systems. I. Quantum registers and quantum gates

description: Abstract During recent years, quantum computations and the study of n-qubit quantum systems have attracted a lot of interest, both in theory and experiment. Apart from the promise of performing quantum computations, however, these investigations also revealed a great deal of difficulties which still need to be solved in practice. In quantum computing, unitary and non-unitary quantum operations act on a given set of qubits to form (entangled) states, in which the information is encoded by the overall s... Title of program: FEYNMAN Catalogue Id: ADWE_v1_0 Nature of problem During the last decade, quantum computing has been found to provide a revolutionary new form of computation. The algorithms by Shor [2] and Grover [3], for example, gave a first impression how one could solve problems in the future, that are intractable otherwise with all classical computers. Broadly speaking, quantum computing applies quantum logic gates (unitary transformations) on a given set of qubits, often referred to a quantum registers. Although, however, the theoretical foundation of qu ... 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 ADWE_v5_0; FEYNMAN; 10.1016/j.cpc.2009.10.015 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/7fnfbtsgrn.1
title: Improved CUDA programs for GPU computing of Swendsen–Wang multi-cluster spin flip algorithm: 2D and 3D Ising, Potts, and XY models

description: Abstract We present new versions of sample CUDA programs for the GPU computing of the Swendsen–Wang multi-cluster spin flip algorithm. In this update, we add the method of GPU-based cluster-labeling algorithm without the use of conventional iteration (Komura, 2015) to those programs. For high-precision calculations, we also add a random-number generator in the cuRAND library. Moreover, we fix several bugs and remove the extra usage of shared memory in the kernel functions. Title of program: SWspin_v2_0 Catalogue Id: AERM_v2_0 Nature of problem Monte Carlo simulation of classical spin systems. Ising, q-state Potts model, and the classical XY model are treated for both two-dimensional and three-dimensional lattices. Versions of this program held in the CPC repository in Mendeley Data AERM_v1_0; SWspin; 10.1016/j.cpc.2013.10.029 AERM_v2_0; SWspin_v2_0; 10.1016/j.cpc.2015.10.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/7krs7cdvsz.1
title: g_contacts: Fast Contacts Search in Biomolecular Ensemble Data

description: Abstract Short-range interatomic interactions govern many bio-molecular processes. Therefore, identifying close interaction partners in ensemble data is an essential task in structural biology and computational biophysics. A contact search can be cast as a typical range search problem for which efficient algorithms have been developed. However, none of those has yet been adapted to the context of macromolecular ensembles, particularly in a molecular dynamics (MD) framework. Here a set-decomposition... Title of program: g_contacts Catalogue Id: AEQA_v1_0 Nature of problem Finding atoms or residues that are closer to one another than a given cut-off. Versions of this program held in the CPC repository in Mendeley Data AEQA_v1_0; g_contacts; 10.1016/j.cpc.2013.07.018 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/8fkh45d9gg.1
title: A geometric multigrid Poisson solver for domains containing solid inclusions

description: Abstract A Cartesian grid method for the fast solution of the Poisson equation in three-dimensional domains with embedded solid inclusions is presented and its performance analyzed. The efficiency of the method, which assume Neumann conditions at the immersed boundaries, is comparable to that of a multigrid method for regular domains. The method is light in terms of memory usage, and easily adaptable to parallel architectures. Tests with random and ordered arrays of solid inclusions, including spheres... Title of program: MG-Inc Catalogue Id: AEOE_v1_0 Nature of problem Poisson equation in domains containing inclusions; Neumann boundary conditions at immersed boundaries. Versions of this program held in the CPC repository in Mendeley Data AEOE_v1_0; MG-Inc; 10.1016/j.cpc.2012.11.008 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/g3fc62zbns.1
title: Program to calculate the spectral harmonic expansion coefficients of the two scalar fields product

description: Abstract A program to compute the spectral harmonic expansion coefficients of the product of two triangular truncated scalar fields is presented. The calculations are performed by a transform method which is more computer efficient relative to the traditional interaction coefficient approach or finite-difference method. Title of program: VCSUM Catalogue Id: ABHK_v1_0 Nature of problem There is a wide range of applications of spectral method in solving partial differential equations in mathematical physics. Versions of this program held in the CPC repository in Mendeley Data ABHK_v1_0; VCSUM; 10.1016/0010-4655(89)90043-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/gphrww2vp4.1
title: Accurate 2d finite element calculations for hydrogen in magnetic fields of arbitrary strength

description: Abstract Recent observations of hundreds of hydrogen-rich magnetic white dwarf stars with magnetic fields up to 10^5T (10^3MG) have called for more comprehensive and accurate databases for wavelengths and oscillator strengths of the H atom in strong magnetic fields for all states evolving from the field-free levels with principal quantum numbers n≤10. We present a code to calculate the energy eigenvalues and wave functions of such states which is capable of covering the entire regime of field stre... Title of program: H2db Catalogue Id: AERB_v1_0 Nature of problem The hydrogen problem in the presence of a magnetic field of arbitrary strength shall be solved for all states up to a principal quantum number of n = 10. We obtain the full energy vs. field strength function within a certain precision. Versions of this program held in the CPC repository in Mendeley Data AERB_v1_0; H2db; 10.1016/j.cpc.2013.09.023 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/nnsf5n3wht.1
title: PumpKin: A tool to find principal pathways in plasma chemical models

description: Abstract PumpKin is a software package to find all principal pathways, i.e. the dominant reaction sequences, in chemical reaction systems. Although many tools are available to integrate numerically arbitrarily complex chemical reaction systems, few tools exist in order to analyze the results and interpret them in relatively simple terms. In particular, due to the large disparity in the lifetimes of the interacting components, it is often useful to group reactions into pathways that recycle the fastest... Title of program: PumpKin Catalogue Id: AETG_v1_0 Nature of problem Analyzing complex chemical models. Versions of this program held in the CPC repository in Mendeley Data AETG_v1_0; PumpKin; 10.1016/j.cpc.2014.05.019 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/x9792yv6zv.1
title: Precise numerical evaluation of the two loop sunrise graph Master Integrals in the equal mass case

description: Abstract We present a double precision routine in Fortran for the precise and fast numerical evaluation of the two Master Integrals (MIs) of the equal mass two-loop sunrise graph for arbitrary momentum transfer in d = 2 and d = 4 dimensions. The routine implements the accelerated power series expansions obtained by solving the corresponding differential equations for the MIs at their singular points. With a maximum of 22 terms for the worst case expansion a relative precision of better than a part in ... Title of program: sunem Catalogue Id: ADYC_v1_0 Nature of problem Numerical evaluation of the two Master Integrals of the equal mass two-loop sunrise Feynman graph for arbitrary momentum transfer in d = 2 and d = 4 dimensions. Versions of this program held in the CPC repository in Mendeley Data ADYC_v1_0; sunem; 10.1016/j.cpc.2006.05.005 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/zt359gv3x3.1
title: Symbolic Lie algebras manipulations using COMMON LISP

description: Abstract We present a description and an implementation of a program in COMMON LISP to perform symbolic computations in a given Lie algebra. Using the general definitions of vector space Lie algebra and enveloping algebra, the program is able to compute commutators, to evaluate similarity transformations and the general Baker-Campbell-Hausdorff formula. All the computations are exact, including numerical coefficients. For the interactive user an optional menu facility and online help are available. LI... Title of program: VSPLAD Catalogue Id: ABFW_v1_0 Nature of problem Symbolic computations on the elements of a given Lie Algebra and its Enveloping Algebra: elements ordering, commutators, evaluation up to a given order of Similarity Transformations, general Baker-Campbell- Hausdorff formula. Versions of this program held in the CPC repository in Mendeley Data ABFW_v1_0; VSPLAD; 10.1016/0010-4655(89)90010-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.5281/zenodo.3967022
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: 10.17632/4ny2scfcxc.1
title: A subroutine package for fast simulation of air showers and response of surface detectors

description: Abstract A subroutine package, GENAS, is presented which enables the user to generate air showers induced by gamma rays, protons, or heavy primaries ranging from 10^(13)eV to 10^(20)eV. GENAS is capable of producing air showers very rapidly while keeping the quality of the showers as if they were produced by the full Monte Carlo method. It includes the response of detectors consisting of a plastic scintillator under thin iron and an optional lead sheet. GENAS offers a means for investigating sur... Title of program: GENAS V2.1 Catalogue Id: ABZN_v1_0 Nature of problem Point sources emitting high energy gamma rays (&gt;10^13 eV) are normally studied with surface air shower arrays which usually employ plastic scintillator detectors. We need a reliable Monte-Carlo code to simulate air shower observation, by which simulation a quantitative comparsion with experiment should be possible for knowing or improving array performance. Every quantity needed for the simulation is, in principle, a function of the primary particle type, energy, zenith angle, age of the shower ... Versions of this program held in the CPC repository in Mendeley Data ABZN_v1_0; GENAS V2.1; 10.1016/0010-4655(91)90053-N This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)