cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.3564260
title: IO Islamic 3019. Ḥabîb-alsiyar, General History, Third Volume

description: IO Islamic 3019. Ḥabîb-alsiyar, General History, Third Volume
DOI: 10.17632/35v98sdrz3.1
title: An object-oriented C++ implementation of Davidson method for finding a few selected extreme eigenpairs of a large, sparse, real, symmetric matrix

description: Abstract A C++ class named Davidson is presented for determining a few eigenpairs with lowest or alternatively highest values of a large, real, symmetric matrix. The algorithm described by Stathopoulos and Fischer is used. The exception mechanism is involved to report the errors. The class is written in ANSI C++, so it is fully portable. In addition a console program as well as a program with graphical user interface for Microsoft Windows is attached, which allow one to calculate the lowest eigenstate... Title of program: Davidson Catalogue Id: ADZM_v1_0 Nature of problem Finding a few extreme eigenpairs of a real, symmetric, sparse matrix. Examples in quantum optics (interaction of matter with a laser field). Versions of this program held in the CPC repository in Mendeley Data ADZM_v1_0; Davidson; 10.1016/j.cpc.2007.06.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/6byr3ssd5s.1
title: SPARSEM: a subroutine package to operate with large sparse matrices

description: Abstract We present here a subroutine package to operate with sparse matrices stored in compact form. For each row (or column) of the matrix, just the non-null elements are stored. The package contains routines to add and multiply matrices, convert from and to normal format, etc., and is thought to be called by programs performing more complex works. We also present the results of some tests which measure the routines' performance in comparison with standard procedures. Title of program: SPARSEM Catalogue Id: ACNQ_v1_0 Nature of problem Sparse matrices appear in a number of physical problems, such as discrete systems with many degrees of freedom; exact diagonalization of quantum clusters; etc. Versions of this program held in the CPC repository in Mendeley Data ACNQ_v1_0; SPARSEM; 10.1016/0010-4655(93)90039-F This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/99fkw6s9nv.1
title: An object oriented code for simulating supersymmetric Yang–Mills theories

description: Abstract We present SUSY_LATTICE – a C++ program that can be used to simulate certain classes of supersymmetric Yang–Mills (SYM) theories, including the well known N = 4 SYM in four dimensions, on a flat Euclidean space–time lattice. Discretization of SYM theories is an old problem in lattice field theory. It has resisted solution until recently when new ideas drawn from orbifold constructions and topological field theories have been brought to bear on the question. The result has been the creation of... Title of program: SUSY_LATTICE Catalogue Id: AELS_v1_0 Nature of problem To compute some of the observables of supersymmetric Yang-Mills theories such as supersymmetric action, Polyakov/Wilson loops, scalar eigenvalues and Pfaffian phases. Versions of this program held in the CPC repository in Mendeley Data AELS_v1_0; SUSY_LATTICE; 10.1016/j.cpc.2012.01.024 AELS_v2_0; SUSY LATTICE; 10.1016/j.cpc.2014.12.025 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/dgt9kg8297.1
title: An improved algorithm and a Fortran 90 module for computing the conical function P − 1 / 2 + i τ m ( x )

description: Abstract In this paper we describe an algorithm and a Fortran 90 module (Conical) for the computation of the conical function P-12+iτm(x) for x&gt;-1, m≥0, τ&gt;0. These functions appear in the solution of Dirichlet problems for domains bounded by cones; because of this, they are involved in a large number of applications in engineering and physics. In the Fortran 90 module, the admissible parameter ranges for computing the conical functions in standard IEEE double precision arithmetic are restricted to (x,... Title of program: Conical Catalogue Id: AELD_v1_0 Nature of problem Conical functions appear in a large number of applications because these functions are the natural function basis for solving Dirichlet problems bounded by conical domains. Also, they are the Kernel of the Mehler-Fock transform. Versions of this program held in the CPC repository in Mendeley Data AELD_v1_0; Conical; 10.1016/j.cpc.2011.11.025 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/h9hjg6j7z4.1
title: Numerical tools to validate stationary points of SO ( 8 ) -gauged N = 8 D = 4 supergravity

description: Abstract Until recently, the preferred strategy to identify stationary points in the scalar potential of SO(8)-gauged N=8 supergravity in D=4 has been to consider truncations of the potential to sub-manifolds of E7 _((+7))/SU(8) that are invariant under some postulated residual gauge group G ⊂SO(8). As powerful alternative strategies have been shown to exist that allow one to go far beyond what this method can achieve - and in particular have produced numerous solutions that... Title of program: e7-vacua Catalogue Id: AELB_v1_0 Nature of problem This code allows numerical validation of claims about the existence of critical points in the scalar potential of four-dimensional SO(8)-gauged N=8 supergravity. Versions of this program held in the CPC repository in Mendeley Data AELB_v1_0; e7-vacua; 10.1016/j.cpc.2011.11.022 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/3ghh2kjb29.1
title: Vscape V1.1.0. An interactive tool for metastable vacua

description: Abstract Vscape is an interactive tool for studying the one-loop effective potential of an ungauged supersymmetric model of chiral multiplets. The program allows the user to define a supersymmetric model by specifying the superpotential. The F-terms and the scalar and fermionic mass matrices are calculated symbolically. The program then allows you to search numerically for (meta)stable minima of the one-loop effective potential. Additional commands enable you to further study specific minima, by, e.g.... Title of program: Vscape 1.1.1 Catalogue Id: ADZW_v1_0 Nature of problem Vscape is an interactive tool for studying the one-loop effective potential of an ungauged supersymmetric model of chiral multiplets. The program allows the user to define a supersymmetric model by specifying the superpotential. The F-terms and the scalar and fermionic mass matrices are calculated symbolically. The program then allows you to search numerically for (meta)stable minima of the one-loop effective potential. Additional commands enable you to further study specific minima, by e.g. com ... Versions of this program held in the CPC repository in Mendeley Data ADZW_v1_0; Vscape 1.1.1; 10.1016/j.cpc.2007.08.009 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/4yjpmbwprp.1
title: A Hardware-Accelerated Quantum Monte Carlo framework (HAQMC) for N-body systems

description: Abstract Interest in the study of structural and energetic properties of highly quantum clusters, such as inert gas clusters has motivated the development of a hardware-accelerated framework for Quantum Monte Carlo simulations. In the Quantum Monte Carlo method, the properties of a system of atoms, such as the ground-state energies, are averaged over a number of iterations. Our framework is aimed at accelerating the computations in each iteration of the QMC application by offloading the calculation of... Title of program: Hardware Accelerated Quantum Monte Carlo (HAQMC) Catalogue Id: AEEP_v1_0 Nature of problem Quantum Monte Carlo is a practical method to solve the Schrödinger equation for large many-body systems and obtain the ground-state properties of such systems. This method involves the sampling of a number of configurations of atoms and averaging the properties of the configurations over a number of iterations. We are interested in applying the QMC method to obtain the energy and other properties of highly quantum clusters, such as inert gas clusters. Versions of this program held in the CPC repository in Mendeley Data AEEP_v1_0; Hardware Accelerated Quantum Monte Carlo (HAQMC); 10.1016/j.cpc.2009.06.027 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/czvxt9f22g.1
title: CONVUS — an efficient package for calculating three-dimensional convolution-type integrals

description: Abstract We present two versions of a program and the underlying algorithm, for the efficient calculation of integrals of the form Z(r_1 , r_2 )=∫d^3 r_3p(r_3 ) X(r_1 , r_3 ) Y(r_2 , r_3 ). The two versions dif fer in the amount of required memory. Such integrals appear in many calculations in physics and chemistry, specially when studying many-body problems of finite systems. Title of program: CONVUS - HIGH ENERGY Catalogue Id: ACNJ_v1_0 Nature of problem Problems in physics, chemistry, applied mathematics as well as in other fields, are often in need of an efficient 3-D convolution quadrature. Versions of this program held in the CPC repository in Mendeley Data acnj_v1_0; CONVUS - HIGH ENERGY; 10.1016/0010-4655(93)90122-S This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/njhr3n2wmz.1
title: A Breit–Pauli distorted wave implementation for autostructure

description: Abstract We describe the Breit–Pauli distorted wave (BPDW) approach for the electron-impact excitation of atomic ions that we have implemented within the autostructure code. Title of program: AUTOSTRUCTURE Catalogue Id: AEIV_v1_0 Nature of problem Collision strengths for the electron-impact excitation of atomic ions are calculated using a Breit-Pauli distorted wave approach with the optional inclusion of two-body non-fine-structure and fine-structure interactions. Versions of this program held in the CPC repository in Mendeley Data AEIV_v1_0; AUTOSTRUCTURE; 10.1016/j.cpc.2011.03.023 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/r3zxs3k9j6.1
title: FeynRules 2.0 — A complete toolbox for tree-level phenomenology

description: Abstract FeynRules is a Mathematica-based package which addresses the implementation of particle physics models, which are given in the form of a list of fields, parameters and a Lagrangian, into high-energy physics tools. It calculates the underlying Feynman rules and outputs them to a form appropriate for various programs such as CalcHep, FeynArts, MadGraph, Sherpa and Whizard. Since the original version, many new features have been added: support for two-component fermions, spin-3/2 and spin-2 fi... Title of program: FeynRules 2.0 Catalogue Id: AEDI_v2_0 Nature of problem The program computes the Feynman rules of any quantum field theory, expressed in four-dimensional spacetime, directly from the Lagrangian of the model. Various interfaces to Feynman diagram calculators are included that allow the exportation of the interaction vertices in a format readable by different Monte Carlo event generators or symbolic calculation tools. Versions of this program held in the CPC repository in Mendeley Data AEDI_v1_0; FeynRules; 10.1016/j.cpc.2009.02.018 AEDI_v1_1; "FeynRules"; 10.1016/j.cpc.2011.06.009 AEDI_v2_0; FeynRules 2.0; 10.1016/j.cpc.2014.04.012 AEDI_v2_1; FeynRules-2.1 with NLOCT; 10.1016/j.cpc.2015.08.015 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/t5ky89x5n8.1
title: CONVUS — an efficient package for calculating three-dimensional convolution-type integrals

description: Abstract We present two versions of a program and the underlying algorithm, for the efficient calculation of integrals of the form Z(r_1 , r_2 )=∫d^3 r_3p(r_3 ) X(r_1 , r_3 ) Y(r_2 , r_3 ). The two versions dif fer in the amount of required memory. Such integrals appear in many calculations in physics and chemistry, specially when studying many-body problems of finite systems. Title of program: CONVUS - LOW ENERGY Catalogue Id: ACNI_v1_0 Nature of problem Problems in physics, chemistry, applied mathematics as well as in other fields, are often in need of an efficient 3-D convolution quadrature. Versions of this program held in the CPC repository in Mendeley Data acni_v1_0; CONVUS - LOW ENERGY; 10.1016/0010-4655(93)90122-S This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.5281/zenodo.3564275
title: IO Islamic 864. Ḥabîb-alsiyar, General History, Fourth Volume

description: IO Islamic 864. Ḥabîb-alsiyar, General History, Fourth Volume
DOI: 10.5281/zenodo.3564276
title: IO Islamic 864. Ḥabîb-alsiyar, General History, Fourth Volume

description: IO Islamic 864. Ḥabîb-alsiyar, General History, Fourth Volume
DOI: 10.17632/27dvyzcfsw.1
title: Quantum mechanical cluster calculations of ionic materials: the ab initio perturbed ion (version 7) program

description: Abstract We describe the computational implementation of the ab initio perturbed ion method, a self-consistent calculation of the electronic structure and energy of a system under the assumption that the total wave function can be written as an antisymmetric product of local ionic (or atomic) wave functions. Large bases of Slater-type orbitals are supported on every center. Very large, realistic, models of ionic materials can be efficiently solved. The program is provided with an easy-to-use and easy-... Title of program: pi7 Catalogue Id: ACNZ_v1_0 Nature of problem ab initio determination of the electronic structure and properties of ionic materials, including pure and defective crystals and isolated finite clusters. Versions of this program held in the CPC repository in Mendeley Data ACNZ_v1_0; pi7; 10.1016/0010-4655(93)90041-A This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/2fn5yr8zyz.1
title: HRMC_2.1: Hybrid Reverse Monte Carlo method with silicon, carbon, germanium and silicon carbide potentials

description: Abstract The Hybrid Reverse Monte Carlo (HRMC) code models the atomic structure of materials via the use of a combination of constraints including experimental diffraction data and an empirical energy potential. In this version 2.1 update, an empirical potential for silicon-carbide has been added to the code along with an experimentally motivated constraint on the bond type fraction applicable to systems containing multiple elements. Title of program: HRMC version 2.1 Catalogue Id: AEAO_v2_1 Nature of problem Atomic modelling using a combination of empirical potentials, fits to experimental data and other chemically or physically motivated constraints. Versions of this program held in the CPC repository in Mendeley Data AEAO_v1_0; HRMC version 1.0; 10.1016/j.cpc.2007.12.007 AEAO_v1_1; HRMC version 1.1; 10.1016/j.cpc.2010.10.023 AEAO_v2_0; HRMC version 2.0; 10.1016/j.cpc.2013.03.004 AEAO_v2_1; HRMC version 2.1; 10.1016/j.cpc.2014.02.025 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/2n57wt6kgd.1
title: Simulating electron energy loss spectroscopy with the MNPBEM toolbox

description: Abstract Within the MNPBEM toolbox, we show how to simulate electron energy loss spectroscopy (EELS) of plasmonic nanoparticles using a boundary element method approach. The methodology underlying our approach closely follows the concepts developed by García de Abajo and coworkers (Garcia de Abajo, 2010). We introduce two classes eelsret and eelsstat that allow in combination with our recently developed MNPBEM toolbox for a simple, robust, and efficient computation of EEL spectra and maps. The classes... Title of program: MNPBEM toolbox Catalogue Id: AEKJ_v2_0 Nature of problem Simulation of electron energy loss spectroscopy (EELS) for plasmonic nanoparticles. Versions of this program held in the CPC repository in Mendeley Data AEKJ_v1_0; MNPBEM; 10.1016/j.cpc.2011.09.009 AEKJ_v2_0; MNPBEM toolbox; 10.1016/j.cpc.2013.12.010 AEKJ_v3_0; MNPBEM toolbox; 10.1016/j.cpc.2015.03.023 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/4n78sxdcb9.1
title: Solution of Raman-Nath equations

description: Abstract A function of 4 variables is defined, which is the solution of the Raman-Nath equations. These are a system of infinite coupled differential equations used to describe the diffraction of light from acoustic waves (or thick gratings), or in the theory of the free electron laser, or the interaction of radiation with multilevel systems. It can be adapted to more general cases (electrons or X-rays in crystals, calculation of Mathieu functions). Title of program: RANA Catalogue Id: ACNM_v1_0 Nature of problem Evolution of a wave in a sinusoidal potential. In particular, diffraction of a wave from a thick sinusoidal grating or acoustic wave. Also used in the theory of the free electron laser and in interaction of radiation with multilevel material system. Versions of this program held in the CPC repository in Mendeley Data ACNM_v1_0; RANA; 10.1016/0010-4655(93)90134-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/8tyc3kw872.1
title: Pseudorandom number generators for personal computers

description: Abstract The speed of desktop personal computers (PCs) has now reached a level of performance such that many scientific problems can be processed without recourse to mainframes. The pseudorandom number generators that are provided by several popular PC Fortran compilers are tested and timed, and compared to two algorithms that were previously published in this journal. Those two published routines have been enhanced and accelerated, and made compatible with a wider range of calling software. Title of program: RANTAUMAR Catalogue Id: ACLW_v1_0 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/cfmsr47984.1
title: Solving surface structures from normal incidence X-ray standing wave data

description: Abstract A program is provided to determine structural parameters of atoms in or adsorbed on surfaces by refinement of atomistic models towards experimentally determined data generated by the normal incidence X-ray standing wave (NIXSW) technique. The method employs a combination of Differential Evolution Genetic Algorithms and Steepest Descent Line Minimisations to provide a fast, reliable and user friendly tool for experimentalists to interpret complex multidimensional NIXSW data sets. Program summa... Title of program: NIXSW Planewave Solver Catalogue Id: ADZE_v1_0 Nature of problem Using NIXSW experimental data to calculate atomic positions of adsorbates. Versions of this program held in the CPC repository in Mendeley Data ADZE_v1_0; NIXSW Planewave Solver; 10.1016/j.cpc.2007.05.006 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/g2ksr7km2j.1
title: Computing zeros of analytic functions in the complex plane without using derivatives

description: Abstract We present a package in Fortran 90 which solves f (z) = 0, where z ∈ W ⊂ C without requiring the evaluation of derivatives, f^′(z). W is bounded by a simple closed curve and f (z) must be holomorphic within W. We have developed and tested the package to support our work in the modeling of high frequency and optical wave guiding and resonant structures. The respective eigenvalue problems are particularly challenging because they require the high precision computation of all multiple complex ... Title of program: EZERO Catalogue Id: ADXY_v1_0 Nature of problem Finding solutions of the equation f(z)=0 where z is a variable in the complex plane and f(z) a function for which formulae for the first derivatives are either not easily obtainable or when such formulae are available are very expensive to compute repeatedly. For example suppose, f(z) is expressed as a determinant of a large matrix each element of which is an integral in which z is present in the integrand. Versions of this program held in the CPC repository in Mendeley Data ADXY_v1_0; EZERO; 10.1016/j.cpc.2006.04.007 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/rbc9bmr8mx.1
title: The computer calculation of graded contractions of Lie algebras and their representations

description: Abstract We present a computer program to generate and solve the defining equations for grading preserving contractions of Lie algebras of any type, and their representations. The algorithm applies to any grading semi-group which is finite and Abelian. It can perform contractions of Lie algebras and/or representations for which the grading is either generic or not. Title of program: CONTRACTIONS Catalogue Id: ACNN_v1_0 Nature of problem In physics, the contraction procedure appears as a formal way to relate the symmetry Lie groups (Lie algebras) of different physical systems, or theories. A new method for contracting Lie algebras, based on the preservation of some grading, was recently constructed. The contraction parameters introduced into the action of the elements of the Lie algebra must satisfy some system of quadratic equations in order to define a contraction of Lie algebra (or its representations). However, in practice s ... Versions of this program held in the CPC repository in Mendeley Data ACNN_v1_0; CONTRACTIONS; 10.1016/0010-4655(93)90063-I This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/4sr78y766m.1
title: DVR3D: for the fully pointwise calculation of ro-vibrational spectra of triatomic molecules

description: Abstract The DVR3D program suite calculates energy levels, wavefunctions, and where appropriate dipole transition moments, for rotating and vibrating triatomic molecules. Potential energy, and where necessary, dipole surfaces must be provided. The programs use an exact (within the Born-Oppenheimer approximation) Hamiltonian, offer a choice of Jacobi or Radau internal coordinates and several body-fixed axes. Rotationally excited states are treated using an efficient two-step algorithm. The programs use... Title of program: DVR3DRJ Catalogue Id: ACNE_v2_0 [ADAK] Nature of problem DVR3DRJ calculates the bound vibrational or Coriolis decoupled ro- vibrational states of a triatomic system in body-fixed Jacobi (scattering) or Radau coordinates coordinates [1,2]. 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)