cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/2khj97b6gw.1
title: GTNEUT: A code for the calculation of neutral particle transport in plasmas based on the Transmission and Escape Probability method

description: Abstract GTNEUT is a two-dimensional code for the calculation of the transport of neutral particles in fusion plasmas. It is based on the T ransmission and E scape P robabilities (TEP) method and can be considered a computationally efficient alternative to traditional Monte Carlo methods. The code has been benchmarked extensively against Monte Carlo and has been used to model the distribution of neutrals in fusion experiments. Title of program: GTNEUT Catalogue Id: ADTX_v1_0 Nature of problem This code calculates the transport of neutral particles in thermonuclear plasmas in two-dimensional geometric configurations. Versions of this program held in the CPC repository in Mendeley Data ADTX_v1_0; GTNEUT; 10.1016/j.cpc.2004.04.009 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/33v3c5gp3p.1
title: LanHEP — A package for automatic generation of Feynman rules from the Lagrangian. Version 3.2

description: Abstract We present a new version 3.2 of the LanHEP software package. New features of the program include tools for the models with extra dimensions, implementation of the particle classes for FeynArts output, using templates with LanHEP statements, color sextet particles and new substitution techniques which allow to define new routines. Title of program: LanHEP Catalogue Id: AECH_v2_0 Nature of problem Deriving Feynman rules from the Lagrangian Versions of this program held in the CPC repository in Mendeley Data AECH_v1_0; LanHEP; 10.1016/j.cpc.2008.10.012 AECH_v2_0; LanHEP; 10.1016/j.cpc.2016.01.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/5bg7sgb36f.1
title: PDFLIB: a library of all available parton density functions of the nucleon, the pion and the photon and the corresponding αS calculations

description: Abstract This document describes an integrated package of parton density functions called PDFLIB, which has been added to the CERN Program Library Pool W999 and is labelled as W5051. In this package all the different sets of parton density functions of the nucleon, the pion and the photon which are available today (about 100 different sets) have been put together. All these sets have been combined in a consistent way such that they all have similar calling sequences and no external data files have to ... Title of program: PDFLIB, version 3.10 Catalogue Id: ACLI_v1_0 Nature of problem All theoretical calculations of cross sections involving the hadronic structure of the incoming particles, i.e. protons, pions or photons, use the parton density at a given longitudinal momentum X of the parton and at a given momentum transfer Q^2. There is a variety of parametrisations available. But each of them has its own structure for input and/or output. Versions of this program held in the CPC repository in Mendeley Data ACLI_v1_0; PDFLIB, version 3.10; 10.1016/0010-4655(93)90051-D This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/jg2kzjdnvn.1
title: FASTERD: A Monte Carlo event generator for the study of final state radiation in the process e + e − → π π γ at DAΦNE

description: Abstract FASTERD is a Monte Carlo event generator to study the final state radiation both in the e^+e^-→ π^+π^-γ and e^+e^-→ π^0π^0γ processes in the energy region of the φ{symbol}-factory DAΦNE. Differential spectra that include both initial and final state radiation and the interference between them are produced. Three different mechanisms for the ππγ final state are considered: Bremsstrahlung process (both in the framework of sQED and Resonance Perturbation Theory), the φ{symbol} di... Title of program: FASTERD Catalogue Id: AEDC_v1_0 Nature of problem General parameterization of the γ* → ππΓ process; test models describing Bremsstrahlung process, the φ direct decay, double vector resonance. mechanism. Versions of this program held in the CPC repository in Mendeley Data AEDC_v1_0; FASTERD; 10.1016/j.cpc.2009.01.023 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/prwx3x9gn5.1
title: Program for optimal computation of EPR spin-hamiltonian parameters for ions in tetragonal symmetry

description: Title of program: EPR SPIN HAMILTONIAN PARAMETERS Catalogue Id: ACKI_v1_0 Nature of problem The program computes the EPR spin-hamiltonian parameters for the paramagnetic ions in a tetragonal environment and an external magnetic field H. Its purpose is to optimize the computation of these spin- hamiltonian parameters with respect to the experimental errors. It can be used also for paramagnetic ions in cubic environment or in the absence of any of the parameters, D,A,B,a,F. Versions of this program held in the CPC repository in Mendeley Data ACKI_v1_0; EPR SPIN HAMILTONIAN PARAMETERS; 10.1016/0010-4655(76)90057-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/rdzkmzh4gw.1
title: VOIGTL — a fast subroutine for Voigt function evaluation on vector processors

description: Abstract Voigt function evaluations account for a significant proportion of computer time used in calculating synthetic stellar spectra, particularly if local thermodynamic equilibrium is assumed. A vectorised Voigt function evaluation routine is presented which, in typical applications, achieves a speed of 180 Mflops on a CRAY-XMP and is accurate to 13 decimal digits. A derived formula gives an order of magnitude estimate of the Voigt function absolute accuracy required for synthetic spectrum calcula... Title of program: VOIGTL Catalogue Id: ACLT_v1_0 Nature of problem Stellar line absorption coefficients are, in most cases, Voigt profiles which are convolutions of Doppler and Lorentz profiles. Voigt function evaluation is required repeatedly in synthetic stellar spectrum calculations and, in the case of local thermodynamic equilibrium being assumed, is dominant in determining computer time required. Versions of this program held in the CPC repository in Mendeley Data ACLT_v1_0; VOIGTL; 10.1016/0010-4655(93)90171-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/swbzyjsvs9.1
title: Program for calculating leed intensities using band structure-matching formalism

description: Title of program: LEED Catalogue Id: ACMH_v1_0 Nature of problem The program computes Low Energy Electron Diffraction (LEED) intensities using the band structure-matching formalism. It calculates the intensity as a function of incident energy or angle for the (001) surface of cubic lattices (sc, fcc or bcc) as well as calculating band structures. Versions of this program held in the CPC repository in Mendeley Data ACMH_v1_0; LEED; 10.1016/0010-4655(71)90026-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/t2wfgtkzcp.1
title: RAD-TRAP, a program for the computation of the eigenvalues and eigenfunctions of the Holstein radiation-trapping equation

description: Abstract Radiation trapping is described by the Holstein equation, a Fredholm integral equation of the second kind. By combining analytical and numerical techniques, the presented code efficiently computes the eigenvalues and eigenfunctions of this equation for three important geometries: plane-parallel slab, long cylinder, and spherically symmetric geometry; all practically occuring spectral lineshapes are considered. The program is written in standard Fortran. Title of program: RAD-TRAP Catalogue Id: ACLB_v1_0 Nature of problem Computation of the eigenvalues and eigenfunctions of the Holstein integral equation describing radiation trapping in an atomic vapor (in one-dimensional geometries). Versions of this program held in the CPC repository in Mendeley Data ACLB_v2_0; RAD-TRAP 2; 10.1016/0010-4655(93)90009-2 ACLB_v1_0; RAD-TRAP; 10.1016/0010-4655(93)90108-O This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/vf3x3hf62r.1
title: Band structure calculations of cubic metals, elementary semiconductors and semiconductor compounds with spin-orbit interaction

description: Title of program: SPINORB Catalogue Id: ACKV_v1_0 Nature of problem This work is concerned with the band structure calculations of metals, elementary semiconductors and semiconductor compounds with spin-orbit interaction included. Versions of this program held in the CPC repository in Mendeley Data ACKV_v1_0; SPINORB; 10.1016/0010-4655(83)90063-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/vyz8grrc39.1
title: Exact computation of the zeeman effect on nuclear quadrupole resonance profiles for powders (SPIN I = 3 2 determination of the asymmetry parameter

description: Title of program: ASYMMETRY PARAMETER IN NQR Catalogue Id: ACKH_v1_0 Nature of problem The asymmetry parameter (eta) of the electricfield gradient tensor is to be determined precisely, using powder samples. The shape of the Zeeman effect envelope reflects a typical structure due to eta. Versions of this program held in the CPC repository in Mendeley Data ACKH_v1_0; ASYMMETRY PARAMETER IN NQR; 10.1016/0010-4655(75)90104-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.5281/zenodo.3564285
title: IO Islamic 414. Ḥabîb-alsiyar, General History, Extract

description: IO Islamic 414. Ḥabîb-alsiyar, General History, Extract
DOI: 10.5281/zenodo.3564286
title: IO Islamic 414. Ḥabîb-alsiyar, General History, Extract

description: IO Islamic 414. Ḥabîb-alsiyar, General History, Extract
DOI: 10.17632/4v6yb6n4r7.1
title: Equation of motion method for the electronic structure of disordered transition metal oxides

description: Abstract The equation of motion method is very well suited for studying the electronic density of states of disordered systems, especially those described by a tight binding Hamiltonian. The Hamiltonian problem is solved in direct space, hence the method can be applied to the systems with high substitutional disorder (oxygen vacancies, dopants), surfaces and interfaces and to study the local electronic environment in the presence of disorder. The presented version of the program was used to obtain the... Title of program: Eq_of_Motion Catalogue Id: ACJD_v1_0 Nature of problem The equation of motion method, as implemented in our program, consists of the following sequence of steps. A solid is described by a tight binding Hamiltonian. The time evolution of a system is determined by the Schrodinger equation for the amplitude of the Green's function F. It is formally solved by polynomial expansion of the exponent. The time evolved amplitude is then Fourier transformed to energy domain. The negative imaginary part of this quantity, divided by Pi gives the density of state ... Versions of this program held in the CPC repository in Mendeley Data ACJD_v1_0; Eq_of_Motion; 10.1016/0010-4655(92)90011-M This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/59rp568g2y.1
title: HPL, a Mathematica implementation of the harmonic polylogarithms

description: Abstract In this paper, we present an implementation of the harmonic polylogarithm of Remiddi and Vermaseren [E. Remiddi, J.A.M. Vermaseren, Int. J. Modern Phys. A 15 (2000) 725, hep-ph/9905237] for Mathematica. It contains an implementation of the product algebra, the derivative properties, series expansion and numerical evaluation. The analytic continuation has been treated carefully, allowing the user to keep the control over the definition of the sign of the imaginary parts. Many options enables t... Title of program: HPL Catalogue Id: ADWX_v1_0 Nature of problem Computer algebraic treatment of the harmonic polylogarithms which appear in the evaluation of Feynman diagrams Versions of this program held in the CPC repository in Mendeley Data ADWX_v1_0; HPL; 10.1016/j.cpc.2005.10.008 ADWX_v2_0; HPL; 10.1016/j.cpc.2011.11.015 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/7hrdn6pyrv.1
title: A program for the calculation of energy spectra and reduced nuclear matrix elements in the frame of the Davydov-Chaban model

description: Abstract In this code, the energy spectra of nuclei and the first- and second-order reduced nuclear matrix elements for coupled-channel calculations are computed. To describe the structure of the target nucleus, the Davydov-Chaban model, including quadrupole and hexadecapole modes, was used. Title of program: DAFICHA Catalogue Id: ACLQ_v1_0 Nature of problem Reduced matrix elements needed for coupled channel calculation in the frame of the Davydov-Chaban model are computed. Interacting potential is expanded in power of deformation paramemeters up to the second order terms, including the quadrupole and hexadecapole modes. The nuclear spectrum of Davydov-Chaban model is also computed. A search procedure of model parameters on the basis of the experimental spectra is included. Versions of this program held in the CPC repository in Mendeley Data ACLQ_v1_0; DAFICHA; 10.1016/0010-4655(93)90124-U This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/96krfw4325.1
title: Exact analytical expressions and numerical analysis of two-center Franck–Condon factors and matrix elements over displaced harmonic oscillator wave functions

description: Abstract A detailed study is undertaken, using various techniques, in deriving analytical formula of Franck-Condon overlap integrals and matrix elements of various functions of power (x^l ), exponential (exp (- 2 c x)) and Gaussian (exp (- c x^2 )) over displaced harmonic oscillator wave functions with arbitrary frequencies. The results suggested by previous experience with various algorithms are presented in mathematically compact form and consist of generalization. The relationships obtained are val... Title of program: FRANCK (Franck-Condon factors and matrix elements programs) Catalogue Id: ADXX_v1_0 Nature of problem The programs calculate the Franck-Condon factors and matrix elements over displaced harmonic oscillator wave functions with arbitrary quantum numbers (n, n1), frequencies (a, a1) and displacement (d) for the various functions of power (x l ), exponential (exp(-2cx)) and Gaussian (exp(-cx 2 )). Versions of this program held in the CPC repository in Mendeley Data ADXX_v1_0; FRANCK (Franck-Condon factors and matrix elements programs); 10.1016/j.cpc.2006.04.002 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/c22mtv32fk.1
title: Programs for signal recovery from noisy data using the maximum likelihood principle II. Program implementation

description: Abstract Three subroutines intended for nonnegative signal recovery from noisy experimental data distorted by the measuring device are presented. The use of these subroutines is illustrated by a test program. Title of program: MLG8, MLU8, MLP8 Catalogue Id: ACLJ_v1_0 Nature of problem A program package for non-negative signal recovery from noisy experimental data distorted by the measuring device is presented. Noise may have a Gaussian, binomial or Poissonian distribution at each experimental point. Three examples are given which demonstrate the usage of the package: a) reduction to an arbitrary instrumental function, which depends only on the difference of its arguments (this is the typical spectroscopic problem); b) the expansion of an exponentially decaying curve which has ... Versions of this program held in the CPC repository in Mendeley Data ACLJ_v1_0; MLG8, MLU8, MLP8; 10.1016/0010-4655(93)90018-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/jc57mcyv6t.1
title: Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations

description: Abstract Orbital-free density functional theory (OFDFT) is a linear-scaling first-principles quantum mechanics method used to calculate the ground-state energy of a given system. Here we present a new version of PRinceton Orbital-Free Electronic Structure Software (PROFESS) with new features. First, PROFESS 3.0 provides a set of new kinetic energy density functionals (KEDFs) which are designed to model semiconductors or transition metals. Specifically, PROFESS 3.0 includes the Huang–Carter (HC) KEDF [... Title of program: PROFESS Catalogue Id: AEBN_v3_0 Nature of problem Given a set of coordinates describing the initial ion positions under periodic boundary conditions, the problem is to determine the ground state energy, electron density, ion positions, and cell lattice vectors predicted by orbital-free density functional theory. The computation of all terms is effectively linear scaling. Parallelization is implemented through domain decomposition, and up to around 10,000 ions may be included in the calculation on just a single processor, limited by RAM. Versions of this program held in the CPC repository in Mendeley Data AEBN_v1_0; PROFESS; 10.1016/j.cpc.2008.07.002 AEBN_v2_0; PROFESS; 10.1016/j.cpc.2010.09.001 AEBN_v3_0; PROFESS; 10.1016/j.cpc.2014.12.021 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/k38pjmd8jt.1
title: PFPOSFIT: A new version of a program for analysing positron lifetime spectra with non-Gaussian prompt curve

description: Title of program: PFPOSFIT Catalogue Id: ACKX_v1_0 Nature of problem A measured positron lifetime spectrum consists of a sum of exponential decay components smeared with the instrumental resolution function. Experimenters want to extract the life times and intensities of the different components. Versions of this program held in the CPC repository in Mendeley Data ACKX_v1_0; PFPOSFIT; 10.1016/0010-4655(83)90077-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/mdxx6hcfbw.1
title: BilKristal 4.0: A tool for crystal parameters extraction and defect quantification

description: Abstract In this paper, we present a revised version of BilKristal 3.0 tool. Raycast screenshot functionality is added to provide improved visual analysis. We added atomic distance analysis functionality to assess crystalline defects. We improved visualization capabilities by adding high level cut function definitions. Discovered bugs are fixed and small performance optimizations are made. Title of program: BilKristal 4.0 Catalogue Id: ADYU_v4_0 Nature of problem Determining the crystal structure parameters of a material is a very important issue in crystallography. Knowing the crystal structure parameters helps the understanding of the 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 very 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/pjx3tjw34h.1
title: Computation of the anisotropic cubic elastic green's tensor function and the elastic energy coefficients of point defects in crystals

description: Title of program: ANISCO Catalogue Id: ACKL_v1_0 Nature of problem The elastic properties of a medium can be expressed by the elastic fundamental integral (elastic Green's tensor function for the infinite medium). It can be calculated exactly only for isotropic and hexagonal symmetry, for all others (e.g. cubic) approximations must be used. Versions of this program held in the CPC repository in Mendeley Data ACKL_v1_0; ANISCO; 10.1016/0010-4655(76)90021-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/c2zm775skt.1
title: A program for computing autoionization properties

description: Abstract A program for computing atomic autoionization widths, decay rates and lifetimes is presented as a new part of the MCHF atomic structure package. The method used is based on the “configuration interaction in the continuum” theory by Fano, in which the continuum is computed independently of the discrete part and the width is given by the “Golden Rule” formula. The program allows for correlation in the discrete part of the atomic state function and in the target, through multiconfiguration expan... Title of program: MCHF_AUTO Catalogue Id: ACLD_v1_0 Nature of problem This program is an extension of the MCHF atomic structure package to calculations of autoionization rates and line widths. Versions of this program held in the CPC repository in Mendeley Data ACLD_v1_0; MCHF_AUTO; 10.1016/0010-4655(93)90021-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/mw5wjbtmzs.1
title: CleGo: A package for automated computation of Clebsch–Gordan coefficients in tensor product representations for Lie algebras A – G

description: Abstract We present a program that allows for the computation of tensor products of irreducible representations of Lie algebras A-G based on the explicit construction of weight states. This straightforward approach (which is slower and more memory-consumptive than the standard methods to just calculate dimensions of the tensor product decomposition) produces Clebsch-Gordan coefficients that are of interest for instance in discussing symmetry breaking in model building for grand unified theories. For t... Title of program: CleGo Catalogue Id: AEIQ_v1_0 Nature of problem Clebsch-Gordan coefficients are widely used in physics. This program has been written as a means to analyze symmetry breaking in the context of grand unified theories in particle physics. As an example, we computed the singlets appearing in higher-dimensional operators 27⊗27⊗27⊗78 and 27⊗27⊗27⊗650 in an E 6 -symmetric GUT. Versions of this program held in the CPC repository in Mendeley Data AEIQ_v1_0; CleGo; 10.1016/j.cpc.2011.03.025 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/n2mhmtvpjt.1
title: A program to calculate fractional parentage coefficients for jj-coupling states with equivalent particles

description: Abstract The n−1→n fractional parentage coefficients (FPC's) for the jj-coupling states with equivalent particles in a j shell are calculated by using the branching rules for the unitary group U(2j+1) and the recurrence formula for the FPC's. Title of program: JJFPC Catalogue Id: ACJY_v1_0 Nature of problem This Program calculates the n - 1 -&gt; n fractional parentage coefficients (FPC's) for the jj-coupling states with equivalent particles in a j shell. The FPC's are needed in the evaluation of matrix elements for one- or two-body operators corresponding to various physical quantities in atomic or nuclear systems combined with the recoupling coefficients and the reduced matrix elements of these operators. Use of the FPC's makes one possible to remove a tedious treatment of the antisymmetrization of ... Versions of this program held in the CPC repository in Mendeley Data ACJY_v1_0; JJFPC; 10.1016/0010-4655(92)90148-R This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)