cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/g6ncgg956v.1
title: Elegent—An elastic event generator

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract Although elastic scattering of nucleons may look like a simple process, it presents a long-lasting challenge for theory. Due to missing hard energy scale, the perturbative QCD cannot be applied. Instead, many phenomenological/theoretical models have emerged. In this paper we present a unified implementation of some of the most prominent models in a C++ library, moreover extended to account for effects of the electromagnetic interaction. The library is complemented with a number of utilities. ... Title of program: Elegent Catalogue Id: AERT_v1_0 Nature of problem Monte-Carlo simulation of elastic nucleon-nucleon collisions Versions of this program held in the CPC repository in Mendeley Data AERT_v1_0; Elegent; 10.1016/j.cpc.2013.11.016
DOI: 10.17632/mkt34bk2x8.1
title: A C++11 implementation of arbitrary-rank tensors for high-performance computing

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract This article discusses an efficient implementation of tensors of arbitrary rank by using some of the idioms introduced by the recently published C++ ISO Standard (C++11). With the aims at providing a basic building block for high-performance computing, a single Array class template is carefully crafted, from which vectors, matrices, and even higher-order tensors can be created. An expression template facility is also built around the array class template to provide convenient mathematical syn... Title of program: cpp-array Catalogue Id: AESA_v1_0 Nature of problem Tensors are a basic building block for any program in scientific computing. Yet, tensors are a built-in component of the C++ programming language. Versions of this program held in the CPC repository in Mendeley Data AESA_v1_0; cpp-array; 10.1016/j.cpc.2014.01.005 AESA_v1_1; cpp-array; 10.1016/j.cpc.2014.07.015
DOI: 10.17632/nj48fmjbrk.1
title: Finding linear dependencies in integration-by-parts equations: A Monte Carlo approach

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract The reduction of a large number of scalar integrals to a small set of master integrals via Laporta’s algorithm is common practice in multi-loop calculations. It is also a major bottleneck in terms of running time and memory consumption. It involves solving a large set of linear equations where many of the equations are linearly dependent. We propose a simple algorithm that eliminates all linearly dependent equations from a given system, reducing the time and space requirements of a subsequent... Title of program: ICE - the IBP Chooser of Equations Catalogue Id: AESF_v1_0 Nature of problem Find linear dependencies in a system of linear equations with multivariate polynomial coefficients. To be used on Integration-By-Parts identities before running Laporta's Algorithm. Versions of this program held in the CPC repository in Mendeley Data AESF_v1_0; ICE - the IBP Chooser of Equations; 10.1016/j.cpc.2014.01.017
DOI: 10.5281/zenodo.2593682
title: Dataset: Does the Survival Processing Memory Advantage translate to Serial Recall?

description: Dataset and analyses protocal as reported in our manuscript <em>Does the Survival Processing Memory Advantage translate to Serial Recall?</em> (Wöstenfeld et al., submitted).
DOI: 10.5281/zenodo.2593683
title: Dataset: Does the Survival Processing Memory Advantage translate to Serial Recall?

description: Dataset and analyses protocal as reported in our manuscript <em>Does the Survival Processing Memory Advantage translate to Serial Recall?</em> (Wöstenfeld et al., submitted).
DOI: 10.17632/c9bz6jvns6.1
title: CheMPS2: Improved DMRG-SCF routine and correlation functions

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract CheMPS2, our spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry (Wouters et al., 2014), has several new features. A speed-up of the augmented Hessian Newton–Raphson DMRG self-consistent field (DMRG-SCF) routine is achieved with the direct inversion of the iterative subspace (DIIS). For extended molecules, the active space orbitals can be localized by maximizing the Edmiston–Ruedenberg cost function. These localized orbitals can be or... Title of program: CheMPS2 Catalogue Id: AESE_v2_0 Nature of problem The many-body Hilbert space grows exponentially with the number of single-particle states. Exact diagonalization solvers can therefore only handle small active spaces, of up to 16 electrons in 16 orbitals. Interesting active spaces are often significantly larger. Versions of this program held in the CPC repository in Mendeley Data AESE_v1_0; CheMPS2; 10.1016/j.cpc.2014.01.019 AESE_v2_0; CheMPS2; 10.1016/j.cpc.2015.01.007
DOI: 10.17632/dswr6vdrbt.1
title: SYMPLER: SYMbolic ParticLE simulatoR with grid-computing interface

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract We present the main design concepts of the object-oriented particle dynamics code SYMPLER. With this freely available software, simulations can be performed ranging from microscopic classical molecular dynamics up to the Lagrangian particle-based discretisation of macroscopic continuum mechanics equations. We show how the runtime definition of arbitrary degrees of freedom and of arbitrary equations of motion allows for modular and symbolic computation with high flexibility. Arbitrary symbolic... Title of program: SYMPLER Catalogue Id: AERQ_v1_0 Nature of problem A unified flexible and modular simulation tool allowing for the investigation of structural, thermodynamic, and dynamical properties of fluids and solids from microscopic over mesoscopic up to macroscopic time and length scales with suitable particle based simulation methods such as molecular dynamics, dissipative particle dynamics or smoothed particle hydrodynamics. The user should be enabled to freely define his own physical models without the need for recoding or code extensions. Versions of this program held in the CPC repository in Mendeley Data AERQ_v1_0; SYMPLER; 10.1016/j.cpc.2013.11.017
DOI: 10.17632/8cyd4g424p.1
title: “Red Tweezers”: Fast, customisable hologram generation for optical tweezers

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract Holographic Optical Tweezers (HOT) are a versatile way of manipulating microscopic particles in 3D. However, their ease of use has been hampered by the computational load of calculating the holograms, resulting in an unresponsive system. We present a program for generating these holograms on a consumer Graphics Processing Unit (GPU), coupled to an easy-to-use interface in LabVIEW (National Instruments). This enables a HOT system to be set up without writing any additional code, as well as pro... Title of program: Red Tweezers Catalogue Id: AEQH_v1_0 Nature of problem This program controls a holographic optical tweezers instrument, including GPU-accelerated rendering of holograms, monitoring the video feed and presenting a user-friendly interface to manipulate particles. Versions of this program held in the CPC repository in Mendeley Data AEQH_v1_0; Red Tweezers; 10.1016/j.cpc.2013.08.008
DOI: 10.17632/m6zttvyh4g.1
title: TemplateTagger v1.0.0: A template matching tool for jet substructure

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract TemplateTagger is a C++ package for jet substructure analysis with Template Overlap Method. The code operates with arbitrary models within fixed-order perturbation theory and arbitrary kinematics. Specialized template generation classes allow the user to implement any model for a decay of a boosted heavy object. In addition to Template Overlap, the code provides ability to calculate other template shape and energy flow observables. We describe in detail the structure of the package, as well a... Title of program: Template Tagger v.1.0.0 Catalogue Id: AERZ_v1_0 Nature of problem Traditional jet reconstruction techniques are inadequate to properly characterize boosted decays of heavy objects. High luminosity and pileup further complicate the matter as extra soft radiation is deposited within the large jet cones, thus both shifting and broadening the kinematic distributions boosted jets. Versions of this program held in the CPC repository in Mendeley Data AERZ_v1_0; Template Tagger v.1.0.0; 10.1016/j.cpc.2013.12.018
DOI: 10.17632/rfnf7y6z89.1
title: FIRE4, LiteRed and accompanying tools to solve integration by parts relations

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract We present the new version of the Mathematica code FIRE and ideas behind it. It can be applied together with the recently developed code LiteRed by Lee in order to provide an integration by parts reduction to master integrals for quite complicated families of Feynman integrals. As an example, we consider four-loop massless propagator integrals for which LiteRed provides reduction rules and FIRE assists to apply these rules. So, as a by-product one obtains a four-loop variant of the well-known... Title of program: FIRE4 Catalogue Id: AEPW_v1_0 Nature of problem Reducing Feynman integrals to master integrals can be treated as a task to solve a huge system of sparse linear equations with polynomial coefficients. Versions of this program held in the CPC repository in Mendeley Data AEPW_v1_0; FIRE4; 10.1016/j.cpc.2013.06.016 AEPW_v2_0; FIRE5; 10.1016/j.cpc.2014.11.024
DOI: 10.17632/vs2mh9cn4t.1
title: IDSOLVER: A general purpose solver for n th-order integro-differential equations

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract Many mathematical models of complex processes may be posed as integro-differential equations (IDE). Many numerical methods have been proposed for solving those equations, but most of them are ad hoc thus new equations have to be solved from scratch for translating the IDE into the framework of the specific method chosen. Furthermore, there is a paucity of general-purpose numerical solvers that free the user from additional tasks. Here we present a general-purpose MATLAB® solver that has the ... Title of program: idsolver Catalogue Id: AEQU_v1_0 Nature of problem To solve a wide variety of integro-differential equations (IDE) of arbitrary order, including the Volterra and Fredholm IDE, variable limits on the integral, and non-linear IDE. Versions of this program held in the CPC repository in Mendeley Data AEQU_v1_0; idsolver; 10.1016/j.cpc.2013.09.008
DOI: 10.17632/ws2d7gnbpt.1
title: CMIstark: Python package for the Stark-effect calculation and symmetry classification of linear, symmetric and asymmetric top wavefunctions in dc electric fields

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract The Controlled Molecule Imaging group (CMI) at the Center for Free Electron Laser Science (CFEL) has developed the CMIstark  software to calculate, view, and analyze the energy levels of adiabatic Stark energy curves of linear, symmetric top and asymmetric top molecules. The program exploits the symmetry of the Hamiltonian to generate fully labeled adiabatic Stark energy curves. CMIstark  is written in Python and easily extendable, while the core numerical calculations make use of machine ... Title of program: CMIstark Catalogue Id: AEQS_v1_0 Nature of problem Calculation of the Stark effect of asymetric top molecules in arbitrarily strong dc electric fields in a correct symmetry classification and using correct labeling of the adiabatic Stark curves. Versions of this program held in the CPC repository in Mendeley Data AEQS_v1_0; CMIstark; 10.1016/j.cpc.2013.09.001
DOI: 10.5281/zenodo.2593628
title: IO500 Full Ranked List, Supercomputing 2018 (Corrected)

description: The IO500 Benchmark publishes twice annual ranked lists of all submissions.  This list was first published at the 2018 SC conference but has been corrected to fix a reporting bug in some of the metadata scores.
DOI: 10.17632/xmnm5xmpbx.1
title: Monte Carlo simulation of X-ray imaging and spectroscopy experiments using quadric geometry and variance reduction techniques

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract The simulation of X-ray imaging experiments is often performed using deterministic codes, which can be relatively fast and easy to use. However, such codes are generally not suitable for the simulation of even slightly more complex experimental conditions, involving, for instance, first-order or higher-order scattering, X-ray fluorescence emissions, or more complex geometries, particularly for experiments that combine spatial resolution with spectral information. In such cases, simulations ar... Title of program: XRMC Catalogue Id: AERO_v1_0 Nature of problem Simulation of a wide range of X-ray imaging and spectroscopy experiments using different types of sources and detectors. Versions of this program held in the CPC repository in Mendeley Data AERO_v1_0; XRMC; 10.1016/j.cpc.2013.10.034
DOI: 10.17632/5pxs4ggx9s.1
title: Uquantchem: A versatile and easy to use quantum chemistry computational software

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract In this paper we present the Uppsala Quantum Chemistry package (UQUANTCHEM), a new and versatile computational platform with capabilities ranging from simple Hartree–Fock calculations to state of the art First principles Extended Lagrangian Born–Oppenheimer Molecular Dynamics (XL-BOMD) and diffusion quantum Monte Carlo (DMC). The UQUANTCHEM package is distributed under the general public license and can be directly downloaded from the code web-site (http://www.anst.uu.se/pesou087/DOWNLOAD-UQU... Title of program: Uquantchem Catalogue Id: AEQY_v1_0 Nature of problem Electronic structure, total energy and force calculation of molecules. Versions of this program held in the CPC repository in Mendeley Data AEQY_v1_0; Uquantchem; 10.1016/j.cpc.2013.09.014
DOI: 10.17632/7vf32xbbjn.1
title: Quasi-Monte Carlo methods for lattice systems: A first look

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract We investigate the applicability of quasi-Monte Carlo methods to Euclidean lattice systems for quantum mechanics in order to improve the asymptotic error behavior of observables for such theories. In most cases the error of an observable calculated by averaging over random observations generated from an ordinary Markov chain Monte Carlo simulation behaves like N − 1 / 2 , where N is the number of observations. By means of quasi-Monte Carlo methods it is possible to improve this behavior for c... Title of program: qar-0.1 Catalogue Id: AERJ_v1_0 Nature of problem Certain physical models formulated as a quantum field theory through the Feynman path integral, such as quantum chromodynamics, require a non-perturbative treatment of the path integral. The only known approach that achieves this is the lattice regularisation. In this formulation the path integral is discretised to a finite, but very high dimensional integral. So far only Monte Carlo, and especially Markov chain-Monte Carlo methods like the Metropolis or the hybrid Monte Carlo algorithm have bee ... Versions of this program held in the CPC repository in Mendeley Data AERJ_v1_0; qar-0.1; 10.1016/j.cpc.2013.10.011
DOI: 10.17632/s8ctws4hhv.1
title: i-PI: A Python interface for ab initio path integral molecular dynamics simulations

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract Recent developments in path integral methodology have significantly reduced the computational expense of including quantum mechanical effects in the nuclear motion in ab initio molecular dynamics simulations. However, the implementation of these developments requires a considerable programming effort, which has hindered their adoption. Here we describe i-PI, an interface written in Python that has been designed to minimise the effort required to bring state-of-the-art path integral techniques... Title of program: i-PI Catalogue Id: AERN_v1_0 Nature of problem Bringing the latest developments in the modelling of nuclear quantum effects with path integral molecular dynamics to ab initio electronic structure programs with minimal implementational effort. Versions of this program held in the CPC repository in Mendeley Data AERN_v1_0; i-PI; 10.1016/j.cpc.2013.10.027
DOI: 10.17632/xkfg3tnxpj.1
title: FIRE5: A C++ implementation of Feynman Integral REduction

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract In this paper the C++ version of FIRE is presented — a powerful program performing Feynman integral reduction to master integrals. All previous versions used only Wolfram Mathematica, the current version mostly uses Wolfram Mathematica as a front-end. However, the most complicated part, the reduction itself can now be done by C++, which significantly improves the performance and allows one to reduce Feynman integrals in previously impossible situations. Title of program: FIRE5 Catalogue Id: AEPW_v2_0 Nature of problem Reducing Feynman integrals to master integrals can be treated as a task to solve a huge system of sparse linear equations with polynomial coefficients. Versions of this program held in the CPC repository in Mendeley Data AEPW_v1_0; FIRE4; 10.1016/j.cpc.2013.06.016 AEPW_v2_0; FIRE5; 10.1016/j.cpc.2014.11.024
DOI: 10.25919/5c8a7f7dca4cc
title: Parkes pulsar observations with undefined project IDs for 2019_02

description: Parkes pulsar observations with undefined project IDs for 2019. This collections contains observations from project PX047.
DOI: 10.15129/e63d2ae4-91a9-4c55-9836-52f8793a3cf6
title: Cathodoluminescence and wavelength-dispersive X-ray measurements of InAlGaN

description: This data is the result of cathodoluminescence hyperspectral imaging and wavelength-dispersive X-ray measurements carried out on a set of InAlGaN epilayers, grown at the Technische Universität Berlin using a range of different precursor fluxes. Details of the samples are given in Sample_details.txt, details of the measurements in Measurement_details.txt, and a description of the proprietary cathodoluminescence file format in File_formats.txt.

Further analysis and interpretation of this data is presented in the associated journal article, and figure numbers referred to in the data correspond to those used in this paper:
G. Kusch et al.,"Influence of InN and AlN concentration on the compositional inhomogeneity and formation of InN-rich regions in InxAlyGa1-x-yN", Jap. J. Appl. Phys. (2019).
DOI: 10.17632/hrt4g43vhp.1
title: FlowPy—A numerical solver for functional renormalization group equations

description: This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract FlowPy is a numerical toolbox for the solution of partial differential equations encountered in Functional Renormalization Group equations. This toolbox compiles flow equations to fast machine code and is able to handle coupled systems of flow equations with full momentum dependence, which furthermore may be given implicitly. Title of program: FlowPy Catalogue Id: AEPB_v1_0 Nature of problem In the study of functional renormalization group equations non-local integro-differential equations arise which furthermore can contain singular coefficient functions for the highest derivative and may only be given implicitly. Solving these equations beyond the simplest cases thus provides a numerical challenge. Versions of this program held in the CPC repository in Mendeley Data AEPB_v1_0; FlowPy; 10.1016/j.cpc.2013.03.002
DOI: 10.20393/5cfd1576-80c3-4cfb-9d7d-f31133483348
title: Galway Bay Observatory Hydrophone Processed Data

description: The Observatory in Galway Bay is an important contribution by Ireland to the growing global network of real-time data capture systems deployed within the ocean. Installed on the seafloor 1.5km off the coast of Spiddal, the observatory uses cameras, probes and sensors to permit continuous and remote live underwater monitoring. Data relating to the marine environment at the site is transferred in real-time from the SmartBay Observatory through a fibre optic telecommunications cable to the Marine Institute headquarters and onwards onto the internet.

This dataset comprises of processed acoustic data that has been collected from the Galway Observatory site using an icListen HF Smart Hydrophone – a digital hydrophone that processes and stores acoustic data. The dataset comprises of processed data, collected from the Galway Bay Subsea cabled observatory since its installation in 2015.

The wide frequency range hydrophone is installed on a separate lander approximately 30m away from the EMSO Smartbay Cable End Equipment Node in Galway Bay in approx. 25m depth of water @ 53° 13.640'N 9° 15.979'W.

The processed FFT files are stored in a txt file generated once a minute with a reading every second. The metadata is included in the header of the text file. TXT files contain ASCII variables separated by tabs. These files may be read by virtually any text editor or spreadsheet program. When interpreted as tabular/spreadsheet data, tabs are equivalent to column divisions, and newline characters are row divisions. All TXT files generated by icListen/Lucy contain several rows of header information at the start of the file, followed by rows of either FFT data or time series data. icListenHF stores only FFT data in TXT format.

Practical uses of this dataset includes but are not limited to scientists, researchers and marine technologists involved in the areas of marine mammal monitoring, real-time noise measurement, environmental assessment and improving compliance with the Marine Strategy Framework Directive.
The processed files are available in real-time via:
http://smartbay.marine.ie/data/hydrophones/
DOI: 10.14457/mu.the.2016.149
title: The applicationof jean-marie londeix method on saxophone intonation technique for Mahidol  university college of music students,Thailand