cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/75h3fwtykd.1
title: MathQCDSR: A Mathematica package for QCD sum rules calculations

description: Abstract We present a software package written in Mathematica for standard QCD sum rules calculations. Two examples are given to demonstrate how to use the package. One is for the mass spectrum of octet baryons from two-point correlation functions; the other for the magnetic moments of octet baryons in the external-field method. The free package FeynCalc is used to handle the gamma-matrix algebra. In addition to two notebooks for the construction of the QCD sum rules, two corresponding notebooks are p... Title of program: MathQCDSR Catalogue Id: AEJA_v1_0 Nature of problem The QCD sum rule method is a nonperturbative approach to solving quantum chromodynamics (QCD), the fundamental theory of the strong force. The approach establishes a direct link between hadron phenomenology and the QCD vacuum structure via a few QCD parameters called vacuum condensates and susceptibilities. It has been widely applied in nuclear and particle physics to gain insight into various aspects of strong-interaction physics. Versions of this program held in the CPC repository in Mendeley Data AEJA_v1_0; MathQCDSR; 10.1016/j.cpc.2011.04.017 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/bptpgb8ddk.1
title: Calculation of four-particle harmonic-oscillator transformation brackets

description: Abstract A procedure for precise calculation of the three- and four-particle harmonic-oscillator (HO) transformation brackets is presented. The analytical expressions of the four-particle HO transformation brackets are given. The computer code for the calculations of HO transformation brackets proves to be quick, efficient and produces results with small numerical uncertainties. Title of program: HOTB Catalogue Id: AEFQ_v1_0 Nature of problem Calculation of the three-particle and four-particle harmonic-oscillator transformation brackets. Versions of this program held in the CPC repository in Mendeley Data AEFQ_v1_0; HOTB; 10.1016/j.cpc.2009.10.012 AEFQ_v2_0; HOTB; 10.1016/j.cpc.2011.01.031 AEFQ_v3_0; HOTB_M; 10.1016/j.cpc.2012.09.021 AEFQ_v4_0; HOTB_MPI; 10.1016/j.cpc.2014.06.025 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/d3fhc7pt2r.1
title: A program for performing exact quantum dynamics calculations using cylindrical polar coordinates: A nanotube application

description: Abstract A program that uses the time-dependent wavepacket method to study the motion of structureless particles in a force field of quasi-cylindrical symmetry is presented here. The program utilises cylindrical polar coordinates to express the wavepacket, which is subsequently propagated using a Chebyshev expansion of the Schrödinger propagator. Time-dependent exit flux as well as energy-dependent S matrix elements can be obtained for all states of the particle (describing its angular momentum compon... Title of program: CYLWAVE Catalogue Id: AECL_v1_0 Nature of problem Time evolution of the state of a structureless particle in a quasicylindrical potential Versions of this program held in the CPC repository in Mendeley Data AECL_v1_0; CYLWAVE; 10.1016/j.cpc.2008.10.016 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/sydn62dm23.1
title: Pseudorandom number generators for personal computers II

description: Abstract A previous article [Comput. Phys. Commun. 75 (1993) 105] compared and analyzed the pseudorandom number generators that are delivered with off-the-shelf Fortran compilers for personal computers. Since the writing of that article, Microsoft has released a new 32-bit protected mode compiler which includes a rewritten generator. The new routine is examined, and the Tausworthe and lagged-Fibonacci routines from the previous article are updated to provide support for this product. Title of program: RANTAUMAR2 Catalogue Id: ACLW_v2_0 [ACPL] Nature of problem Any Monte Carlo or other calculation requiring a uniform pseudorandom number generator. Versions of this program held in the CPC repository in Mendeley Data ACLW_v2_0; RANTAUMAR2; 10.1016/0010-4655(93)90152-3 ACLW_v1_0; RANTAUMAR; 10.1016/0010-4655(93)90168-C ACLW_v3_0; RANSAL; 10.1016/0010-4655(94)90122-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/yhmpd7hdw3.1
title: A flexible least squares routine for general Mössbauer effect spectra fitting

description: Title of program: FLEXIBLE MOSSBAUER FIT ROUTINE Catalogue Id: ACML_v1_0 Nature of problem A general program is presented to fit experimental Mossbauer data to theoretical functions. The program is designed to allow the theoretical function to be easily changed. Versions of this program held in the CPC repository in Mendeley Data ACML_v1_0; FLEXIBLE MOSSBAUER FIT ROUTINE; 10.1016/0010-4655(74)90005-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.5281/zenodo.3564262
title: TESS-JULY-2019

description: Measurements taken by the European Photometer Network (Project STARS4ALL). July 2019
DOI: 10.17632/4c2z7zj72b.1
title: A multi-grid method for the resolution of thermodynamic Bethe ansatz equations

description: Abstract We present a multi-grid algorithm in order to solve numerically the thermodynamic Bethe ansatz equations. We specifically adapt the program to compute the data of the conformal field ttheory reached in the ultraviolet limit. Title of program: TBA Catalogue Id: ACLV_v1_0 Nature of problem Resolve the thermodynamic Bethe ansatz equations corresponding to a factorized scattering theory and extract the data of the underlying conformal field theory reached in the ultraviolet limit. Versions of this program held in the CPC repository in Mendeley Data ACLV_v1_0; TBA; 10.1016/0010-4655(93)90169-D This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/fhpzy4wjyj.1
title: Group-theoretical analysis of lattice vibrations

description: Title of program: GROUP THEORY OF LATTICE DYNAMICS Catalogue Id: ACMI_v1_0 Nature of problem The program block-diagonalizes the dynamical matrix characterizing lattice vibrations of solids, constructs symmetry coordinates, and labels these coordinates with the irreducible representations of the symmetry group. ADAPTATION SUMMARY: Vol:Year:Page 4:1972:249 "0001 EXTERNAL MODES" "External modes of molecular crystals." T.G. Worlton ADAPTATION SUMMARY: Vol:Year:Page 6:1973:149 "0002 IMR CALCULATION" "Irreducible multiplier representations." T.G. Worlton CORRECTION SUMMARY: Vol:Year:Page 8:1974:141 "B00ACORRECTION TO 0002 04/08/74" "Irreducible multiplier representations. (C.P.C. 6(1973)149)." T.G. Worlton Note: adaptation instructions are contained in source code Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ACMI_v1_0; GROUP THEORY OF LATTICE DYNAMICS; 10.1016/0010-4655(72)90058-6 ACMI_v2_0; GROUP THEORY LATTICE DYNAMICS 2; 10.1016/0010-4655(74)90057-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/fmy59kkykn.1
title: An electroweak Monte Carlo for four-fermion production

description: Abstract An electroweak event generator for the four-fermion production process e^+ e^-→ ffFF is described. This generator, FERMISV, includes all the lowest-order diagrams involving Z and photon propagators. It uses multichannel phase space methods to map the very many peaks of the differential cross section. A leading-log approach to initial- and final-state radiation has been included to make FERMISV useful for phenomenology in the range 20 GeV &lt; √s &lt; 200 GeV, where √s is the center-of-mass energy... Title of program: FERMISV Catalogue Id: ACLR_v1_0 Nature of problem Cross section and event generator for e+e- -&gt; ffbarFFbar Versions of this program held in the CPC repository in Mendeley Data ACLR_v1_0; FERMISV; 10.1016/0010-4655(93)90175-C This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/g6czxh6vbk.1
title: The VOLSCAT package for electron and positron scattering of molecular targets: A new high throughput approach to cross-section and resonances computation

description: Abstract VOLSCAT is a computer program which implements the Single Center Expansion (SCE) method to solve the scattering equation for the elastic collision of electrons/positrons off molecular targets. The scattering potential needed is calculated by on-the-fly calls to the external SCELib library for molecular properties, recently ported to GPU computing environment and ClearSpeed platforms, and made available by means of an Application Program Interface (SCELib-API) which is also provided with the V... Title of program: VOLSCAT V1.0 Catalogue Id: AEEW_v1_0 Nature of problem In this set of codes an efficient procedure is implemented to calculate partial cross section for the scattering between an electron/positron and a molecular target as a function of the collision energies. Versions of this program held in the CPC repository in Mendeley Data AEEW_v1_0; VOLSCAT V1.0; 10.1016/j.cpc.2009.07.013 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/gz688t3rsd.1
title: DVR3D: programs for fully pointwise calculation of vibrational spectra

description: Abstract DVR3D calculates rotationless (J=0) vibrational energy levels and wavefunctions for triatomic systems using scattering (Jacobi) coordinates, or optionally unsymmetrised Radau coordinates, for a given potential energy surface. The program uses a discrete variable representation (DVR) based on Gauss-Legendre and Gauss-Laguerre quadrature for all 3 internal coordinates and thus yields a fully pointwise representation of the wavefunctions. Successive diagonalisation and truncation is implemented ... Title of program: DVR3D Catalogue Id: ACNE_v1_0 Nature of problem DVR3D calculates the bound vibrational or Coriolis decoupled ro- vibrational states of a triatomic system in body-fixed Jacobi (scattering) or Radau coordinates coordinates [1]. Versions of this program held in the CPC repository in Mendeley Data acne_v1_0; DVR3D; 10.1016/0010-4655(93)90050-M acne_v2_0; DVR3DRJ; 10.1016/0010-4655(94)00139-S acne_v3_0; DVR3DRJZ; 10.1016/j.cpc.2003.10.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/hprjsbwfcj.1
title: $Apart: A generalized Mathematica Apart function

description: Abstract We have generalized the Mathematica function Apart from 1 to N dimensions: the generalized function $Apart can decompose any linear dependent elements in Vx* to irreducible ones. The elements in Vx* can be viewed as the corresponding propagators which involve loop momenta, and the decomposition will be useful when one tries to perform loop calculations using packages such as Fire and Reduze, which have implemented the integration by parts (IBP) identities and Lorentz invariance (LI) identitie... Title of program: $Apart Catalogue Id: AEMK_v1_0 Nature of problem The traditional method of computing cross sections for a physical process in perturbative quantum field theory involves generating the amplitudes via Feynman diagrams and performing the dimensionally regularized loop integrals [1]. Simplifications of the expressions are performed at the analytical level, there an essential part is the reduction of these loop integrals to a small number of standard integrals. This step can be performed at the amplitude level for tensor integrals or, after contrac ... Versions of this program held in the CPC repository in Mendeley Data AEMK_v1_0; $Apart; 10.1016/j.cpc.2012.03.025 AEMK_v2_0; APart 2.0; 10.1016/j.cpc.2015.09.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/kxgk2txrgx.1
title: A web-deployed interface for performing ab initio molecular dynamics, optimization, and electronic structure in Fireball

description: Abstract Fireball is an ab initio technique for fast local orbital simulations of nanotechnological, solid state, and biological systems. We have implemented a convenient interface for new users and software architects in the platform-independent Java language to access Fireball's unique and powerful capabilities. The graphical user interface can be run directly from a web server or from within a larger framework such as the Computational Science and Engineering Online (CSE-Online) environment or the ... Title of program: FireballUI Catalogue Id: AECF_v1_0 Nature of problem The set up and running of many simulations (all of the same type), from the command line, is a slow process. But most research quality codes, including the ab initio tight-binding code FIREBALL, are designed to run from the command line. The desire is to have a method for quickly and efficiently setting up and running a host of simulations. Versions of this program held in the CPC repository in Mendeley Data AECF_v1_0; FireballUI; 10.1016/j.cpc.2008.10.007 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/r37xzyczzr.1
title: Pattern information extraction from crystal structures

description: Abstract Determining the crystal structure parameters of a material is an important issue in crystallography and material science. Knowing the crystal structure parameters helps in understanding the physical behavior of material. It can be difficult to obtain crystal parameters for complex structures, particularly those materials that show local symmetry as well as global symmetry. This work provides a tool that extracts crystal parameters such as primitive vectors, basis vectors and space groups from... Title of program: BilKristal Catalogue Id: ADYU_v1_0 Nature of problem Determining crystal structure parameters of a material is a quite important issue in crystallography. Knowing the crystal structure parameters helps to understand physical behavior of material. For complex structures, particularly for materials which also contain local symmetry as well as global symmetry, obtaining crystal parameters can be quite hard. Versions of this program held in the CPC repository in Mendeley Data ADYU_v1_0; BilKristal; 10.1016/j.cpc.2007.01.002 ADYU_v2_0; BilKristal 2.0.; 10.1016/j.cpc.2013.09.020 ADYU_v3_0; BilKristal 3.0; 10.1016/j.cpc.2014.09.017 ADYU_v4_0; BilKristal 4.0; 10.1016/j.cpc.2015.04.013 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/tfz8wswd7p.1
title: SUSY_FLAVOR v2: A computational tool for FCNC and CP-violating processes in the MSSM

description: Abstract We present SUSY-FLAVOR version 2 - a Fortran 77 program that calculates low-energy flavor observables in the general R-parity conserving MSSM. For a set of MSSM parameters as input, the code gives predictions for: 1. Electric dipole moments of the leptons and the neutron. 2. Anomalous magnetic moments (i.e. g-2) of the leptons. 3. Radiative lepton decays (μ → eγ and τ → μγ, eγ). 4. Rare Kaon decays (K_L ^0→ π^(0-)νν and K^+→ π ^(+-)νν). 5. Leptonic B decays (B_(s,d)→ l ^+ l^- , B →... Title of program: SUSY FLAVOR v2 Catalogue Id: AEGV_v2_0 Nature of problem Predicting CP-violating observables, meson mixing parameters and branching ratios for set of rare processes in the general R-parity conserving MSSM. Versions of this program held in the CPC repository in Mendeley Data AEGV_v1_0; SUSY_FLAVOR; 10.1016/j.cpc.2010.07.047 AEGV_v2_0; SUSY FLAVOR v2; 10.1016/j.cpc.2012.11.007 AEGV_v2_5; SUSY FLAVOR v2.5; 10.1016/j.cpc.2014.10.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/2nmrgvdg5w.1
title: TNAMD: Implementation of TIGER2 in NAMD

description: Abstract Replica-exchange molecular dynamics (REMD) must be used to enhance sampling when there are significant (relative to kT) barriers between different parts of the phase space. TIGER2 is a next-generation REMD method that offers more efficient sampling compared to the original REMD method by reducing the number of replicas required to span a given temperature range. In this paper, we present an implementation of the TIGER2 algorithm in the NAMD software package. This implementation exploits the c... Title of program: TNAMD Catalogue Id: AEHH_v1_0 Nature of problem Replica-exchange molecular dynamics Versions of this program held in the CPC repository in Mendeley Data AEHH_v1_0; TNAMD; 10.1016/j.cpc.2010.09.011 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/3nhrbghcff.1
title: QDENSITY—A Mathematica quantum computer simulation

description: Abstract This Mathematica 6.0 package is a simulation of a Quantum Computer. The program provides a modular, instructive approach for generating the basic elements that make up a quantum circuit. The main emphasis is on using the density matrix, although an approach using state vectors is also implemented in the package. The package commands are defined in Qdensity.m which contains the tools needed in quantum circuits, e.g., multiqubit kets, projectors, gates, etc. Title of program: QDENSITY 2.0 Catalogue Id: ADXH_v2_0 Nature of problem Analysis and design of quantum circuits, quantum algorithms and quantum clusters. Versions of this program held in the CPC repository in Mendeley Data ADXH_v1_0; QDENSITY; 10.1016/j.cpc.2005.12.021 ADXH_v2_0; QDENSITY 2.0; 10.1016/j.cpc.2008.10.006 ADXH_v3_0; QCWAVE; 10.1016/j.cpc.2011.04.010 ADXH_v4_0; QDensity, QCWave, BTSystem, Circuits; 10.1016/j.cpc.2015.12.015 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/bkjrzthwnd.1
title: Program for calculating leed intensities based on the inelastic collision model: I. Matrix inversion method

description: Abstract Title of program: ICMLEED - MATRIX INVERSION Catalogue number: ACMK Program obtainable from: CPC Program Library, Queen's University of Belast, N. Ireland (see application form in this issue). Computer: IBM 360/67; Installation: Institute of Applied Mathematics Grenoble, France. Operating system: OS 360/67 Programming language used: FORTRAN IV High speed storage required: 43250 words. No. of bits in a word: 32 Overlay structure: None No. of magnetic tapes required: None Other peripherals used... Title of program: ICMLEED-MATRIX INVERSION Catalogue Id: ACMK_v1_0 Nature of problem The program calculates the intensities of electrons diffracted by crystal surfaces as a function of all incidence parameters. Versions of this program held in the CPC repository in Mendeley Data ACMK_v1_0; ICMLEED-MATRIX INVERSION; 10.1016/0010-4655(74)90056-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/d2yhc2g24h.1
title: The Madelung potential and electric field intensity for a sodium chloride and for a caesium chloride lattice

description: Title of program: NA CL MADELUNG FIELD Catalogue Id: ACMA_v1_0 Nature of problem This version of subroutine MDLG calculates the electrostatic potential and the components of the electrostatic field at an arbitrary point in space within an infinite array of positive and negative point charges arranged in the form of a NaCl-type lattice. Versions of this program held in the CPC repository in Mendeley Data ACMA_v1_0; NA CL MADELUNG FIELD; 10.1016/0010-4655(70)90044-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/w6wfprc7bp.1
title: Gamma-radiation dosimetry for arbitrary source and target geometry

description: Title of program: DOSEI Catalogue Id: ACMG_v1_0 Nature of problem The program DOSE1 calculates the first collision dose in the formalism of absorbed fractions for gamma-rays in arbitrary finite geometry of source, absorber and target. ... CORRECTION SUMMARY: Vol:Year:Page 5:1973:395 "000A CORRECTION 05/03/73" "Gamma-radiation dosimetry for arbitrary source and target geometry. (C.P.C. 2(1971)449)." L.B. Hubbard ADAPTATION SUMMARY: Vol:Year:Page 6:1973:240 "0001 DOSEI IMPROVEMENTS" "First collision gamma-ray dose." L.B. Hubbard Note: adaptation instructions are contained in source code Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ACMG_v1_0; DOSEI; 10.1016/0010-4655(71)90038-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/wfsryk2bj6.1
title: Maple code for the calculation of the matrix elements of the Boltzmann collision operators for mixtures

description: Abstract A Maple code is provided which is used to compute the matrix elements of the collision operators in the Boltzmann equation for arbitrary differential elastic collision cross section. The present paper describes an efficient method for the calculation of the matrix elements of the collision operators in the Sonine basis set. The method employs the generating functions for these polynomials. The transport properties of gaseous mixtures of atoms and/or ions are generally determined from solution... Title of program: MCBC Catalogue Id: AEGJ_v1_0 Nature of problem The representation of the collision operators in the Boltzmann equation in the basis set of Sonine (Laguerre) polynomials. Versions of this program held in the CPC repository in Mendeley Data AEGJ_v1_0; MCBC; 10.1016/j.cpc.2010.05.011 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.5281/zenodo.3564283
title: IO Islamic 2988. Ḥabîb-alsiyar, General History, Fourth Volume

description: IO Islamic 2988. Ḥabîb-alsiyar, General History, Fourth Volume
DOI: 10.5281/zenodo.3564284
title: IO Islamic 2988. Ḥabîb-alsiyar, General History, Fourth Volume

description: IO Islamic 2988. Ḥabîb-alsiyar, General History, Fourth Volume
DOI: 10.17632/4hbxtdy56h.1
title: Markovian Monte Carlo program EvolFMC v.2 for solving QCD evolution equations

description: Abstract We present the program EvolFMC v.2 that solves the evolution equations in QCD for the parton momentum distributions by means of the Monte Carlo technique based on the Markovian process. The program solves the DGLAP-type evolution as well as modified-DGLAP ones. In both cases the evolution can be performed in the LO or NLO approximation. The quarks are treated as massless. The overall technical precision of the code has been established at 5 × 10^(- 4). This way, for the first time ever, we ... Title of program: EvolFMC v.2 Catalogue Id: AEFN_v1_0 Nature of problem Solution of the QCD evolution equations for the parton momentum distributions of the DGLAP- and modified-DGLAP-type in the LO and NLO approximations. Versions of this program held in the CPC repository in Mendeley Data AEFN_v1_0; EvolFMC v.2; 10.1016/j.cpc.2009.09.023 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)