cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/k6xm53yh2k.1
title: Symmetry and band structure I. Selection of reciprocal lattice vectors

description: Title of program: SYMMETRY AND BAND STRUCTURE 1 Catalogue Id: ACMD_v1_0 Nature of problem The first section of a program to perform the symmetry part of band structure calculations. This part selects a symmetry adapted set of reciprocal lattice vectors. CORRECTION SUMMARY: Vol:Year:Page 0:unpublished:unpublished "000A CORRECTION 17/12/74" "Unpublished correction to selection of reciprocal lattice vectors." V. Hoffstein; O. Moller Note: correction instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ACMD_v1_0; SYMMETRY AND BAND STRUCTURE 1; 10.1016/0010-4655(71)90009-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/p45b6h7bk2.1
title: A Maxwell–Schrödinger solver for quantum optical few-level systems

description: Abstract The msprop program presented in this work is capable of solving the Maxwell–Schrödinger equations for one or several laser fields propagating through a medium of quantum optical few-level systems in one spatial dimension and in time. In particular, it allows to numerically treat systems in which a laser field interacts with the medium with both its electric and magnetic component at the same time. The internal dynamics of the few-level system is modeled by a quantum optical master equation wh... Title of program: msprop Catalogue Id: AEHR_v1_0 Nature of problem We consider a system of quantum optical few-level atoms exposed to several near-resonant continuous-wave or pulsed laser fields. The complexity of the problem arises from the combination of the coherent and incoherent time evolution of the atoms and its dependence on the spatially varying fields. In systems with a coupling to the electric and magnetic field component the simultaneous treatment of both field components poses an additional challenge. Studying the system dynamics requires solving t ... Versions of this program held in the CPC repository in Mendeley Data AEHR_v1_0; msprop; 10.1016/j.cpc.2010.10.018 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/t6n6jw53xk.1
title: COSMO - a program to estimate spallation radioactivity produced in a pure substance by exposure to cosmic radiation on the earth

description: Abstract A program is presented that calculates the production by nucleon-induced spallation of all radionuclides with halflives in the range 25 days-5 million years, from an initially pure substance. Title of program: COSMO Catalogue Id: ACJN_v1_0 Nature of problem Particularly in low-level counting applications (design of Dark Matter and neutrinoless-beta beta decay experiments), it is important to have estimates of the cosmogenic activity produced in detector and cryostat materials by interaction of cosmic rays. With straightforward modifications, program would also be useful in computing induced radioactivity in accelerator components exposed to nucleon beams of energy greater than 50-100 MeV. Versions of this program held in the CPC repository in Mendeley Data ACJN_v1_0; COSMO; 10.1016/0010-4655(92)90008-M This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/vx625zmdwm.1
title: A program generating homogeneous random graphs with given weights

description: Abstract We present a program package to generate homogeneous random graphs with probabilities prescribed by the user. The statistical weight of a labeled graph α is given in the form W(α)=∏i=1Np(qi), where p(q) is an arbitrary user function and qi are the degrees of the graph nodes. The program can be used to generate two types of graphs (simple graphs and pseudo-graphs) from three types of ensembles (micro-canonical, canonical and grand-canonical). Title of the program:GraphGen Catalogue identifier:... Title of program: GraphGen Catalogue Id: ADWL_v1_0 Nature of problem The program generates random graphs. The probabilities of graph occurrence are proportional to their statistical weight, dependent on node degrees defined by arbitrary distributions. Versions of this program held in the CPC repository in Mendeley Data ADWL_v1_0; GraphGen; 10.1016/j.cpc.2005.07.010 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/w7d647b8cn.1
title: A B-spline Hartree–Fock program

description: Abstract A B-spline version of a Hartree-Fock program is described. The usual differential equations are replaced by systems of non-linear equations and generalized eigenvalue problems of the form (H^a -ε^(aa)B) P^a =0, where a designates the orbital. When orbital a is required to be orthogonal to a fixed orbital, this form assumes that a projection operator has been applied to eliminate the Lagrange multiplier. When two orthogonal orbitals are both varied, the energy must also be stationary with re... Title of program: SPHF version 1.00 Catalogue Id: AEIJ_v1_0 Nature of problem Non-relativistic Hartree-Fock wavefunctions are determined for atoms in a bound state that may be used to predict a variety atomic properties. Versions of this program held in the CPC repository in Mendeley Data AEIJ_v1_0; SPHF version 1.00; 10.1016/j.cpc.2011.01.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/3js2n7n5br.1
title: RacoonWW1.3: A Monte Carlo program for four-fermion production at e+e− colliders

description: Abstract We present the Monte Carlo generator RACOONWW that computes cross sections to all processes e^+ e^- →4f and e^+ e^- →4fγ and calculates the complete O (α) electroweak radiative corrections to e^+ e^- →WW→4f in the electroweak Standard Model in double-pole approximation. The calculation of the tree-level processes e^+ e^- →4f and e^+ e^- →4fγ is based on the full matrix elements for massless (polarized) fermions. When calculating radiative corrections to e^+ e^- →WW→4f, the complete virtual do... Title of program: RACOONWW, version 1.3 Catalogue Id: ADRU_v1_0 Nature of problem Precision calculations for W-pair production, four-fermion production, and four-fermion plus photon production in e+e- annihilation. Versions of this program held in the CPC repository in Mendeley Data ADRU_v1_0; RACOONWW, version 1.3; 10.1016/S0010-4655(03)00205-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/3kpvpzjfmg.1
title: A computer model for resistive MHD analysis

description: Abstract This paper describes the formulation of a linear MHD stability code in toroidal geometry. The only assumption involved is that the perturbations are incompressible. The emphasis is to construct a code capable of calculating the effects of finite plasma resistivity. Thus, a magnetic flux coordinate system is employed since resistivity is known to be important in narrow regions in the vicinity of resonant magnetic surfaces. The code is constructed as an initial value problem, using fully implic... Title of program: ARES Catalogue Id: ACJO_v1_0 Nature of problem This paper describes the formulation of a linear MHD stability code in toroidal geometry. The only assumption involved is that the perturb- ations are incompressible. The emphasis is to construct a code capable of calculating the effects of finite plasma resistivity. Thus, a magnetic flux coordinate system is employed since resistivity is known to be important in narrow regions in the vicinity of resonant magnetic surfaces. The code is constructed as an Initial Value problem, using fully implici ... Versions of this program held in the CPC repository in Mendeley Data ACJO_v1_0; ARES; 10.1016/0010-4655(92)90007-L This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/4jrk39rvvb.1
title: Diagonalisation of quantum observables on regular lattices and general graphs

description: Abstract In the study of quantum mechanical systems, exact diagonalisation (ED) methods play an extremely important role. We have developed an ED code named DoQO (Diagonalisation of Quantum Observables). This code is capable of constructing and diagonalising the observables for spin 1 2 and spinless fermionic particles with many body interactions on arbitrary graphs using massively parallel distributed memory machines. At the same time, the code can exploit physical symmetries to reduce the size of th... Title of program: DoQO Catalogue Id: AEII_v1_0 Nature of problem To calculate the low lying eigenvalues and eigenstates of quantum observables for spin 1/2 and spinless fermionic systems on arbitrary graphs efficiently in parallel. Versions of this program held in the CPC repository in Mendeley Data AEII_v1_0; DoQO; 10.1016/j.cpc.2010.12.051 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/6j8tw3dbs3.1
title: The Canon package: a fast kernel for tensor manipulators

description: Abstract This paper describes the Canon package written in the Maple programming language. Canon's purpose is to work as a kernel for complete Maple tensor packages or any Maple package for manipulating indexed objects obeying generic permutation symmetries and possibly having dummy indices. Canon uses Computational Group Theory algorithms to efficiently simplify or manipulate generic tensor expressions. We describe the main command to access the package, give examples, and estimate typical computatio... Title of program: Canon Catalogue Id: ADSP_v1_0 Nature of problem Manipulation and simplification of tensor expressions (or any expression in terms of indexed objects) in explicit index notation, where the indices obey generic permutation symmetries and there may exist dummy (summed over) indices. Versions of this program held in the CPC repository in Mendeley Data ADSP_v1_0; Canon; 10.1016/S0010-4655(03)00494-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/73nmcshzkb.1
title: BCVEGPY2.2: A newly upgraded version for hadronic production of the meson B c and its excited states

description: Abstract A newly upgraded version of the BCVEGPY, a generator for hadronic production of the meson ^(Bc)and its excited states, is available. In comparison with the previous one (Chang et al., 2006), the new version is to apply an improved hit-and-miss technology to generating the un-weighted events much more efficiently under various simulation environments. The codes for production of 2S-wave ^(Bc)states are also given here. Title of program: BCVEGPY2.2 Catalogue Id: ADTJ_v2_3 Nature of problem Hadronic Production of B c meson and its excited states. Versions of this program held in the CPC repository in Mendeley Data ADTJ_v1_0; BCVEGPY; 10.1016/j.cpc.2004.02.005 ADTJ_v2_0; BCVEGPY; 10.1016/j.cpc.2005.09.008 ADTJ_v2_1; BCVEGPY2.1; 10.1016/j.cpc.2006.07.014 ADTJ_v2_2; BCVEGPY2.1a; 10.1016/j.cpc.2011.08.024 ADTJ_v2_3; BCVEGPY2.2; 10.1016/j.cpc.2015.07.015 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/8v2tffjtfn.1
title: FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions

description: Abstract A symbolic program performing the Formal Reduction of Density Operators (FRODO) has been developed in the MuPAD computer algebra system with the purpose of evaluating the matrix elements of the electronic Hamiltonian between internally contracted functions in a complete active space (CAS) scheme. The program is illustrated making use of two meaningful examples. Title of program: FRODO Catalogue Id: ADVY_v1_0 Nature of problem In order to improve on the CAS-SCF wavefunction one can resort to multireference perturbation theory or configuration interaction based on internally contracted functions (ICF) which are obtained by application of the excitation operators to the reference CAS-SCF wavefunction. The formulation of such matrix elements is quite cumbersome and a computer algebra system like MuPAD appears ideally suited to perform such a task. Versions of this program held in the CPC repository in Mendeley Data ADVY_v1_0; FRODO; 10.1016/j.cpc.2005.05.002 ADVY_v2_0; FRODO; 10.1016/j.cpc.2012.09.034 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/c8mwpwjnhx.1
title: A routine for calculating the form-factor and the electrical resistivity of liquid N.F.E. metals

description: Title of program: MUKUL Catalogue Id: ACKC_v1_0 Nature of problem This program computes the "form factor" and the electrical resistivity of a liquid nearly-free-electron metal. Versions of this program held in the CPC repository in Mendeley Data ACKC_v1_0; MUKUL; 10.1016/0010-4655(73)90072-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/hbcyr7x9bk.1
title: Full 1-loop calculation of BR( B s , d 0 → ℓ ℓ ̄ ) in models beyond the MSSM with SARAH and SPheno

description: Abstract We present the possibility of calculating the quark flavor changing neutral current decays B s 0 → ℓ ℓ ̄ and B d 0 → ℓ ℓ ̄ for a large variety of supersymmetric models. For this purpose, the complete one-loop calculation has been implemented in a generic form in the Mathematica package SARAH. This information is used by SARAH to generate Fortran source code for SPheno for a numerical evaluation of these processes in a given model. We comment also on the possibility to use this setup for non-s... Title of program: SARAH Catalogue Id: AEIB_v2_1 Nature of problem Models beyond the SM can have new contributions to the decays of neutral B-mesons. For a precise prediction of the corresponding branching ratios a full 1-loop calculation including all possible wave, penguin and box diagrams is necessary. This usually requires a big effort and public codes for these calculations so far only support a few selected models. Versions of this program held in the CPC repository in Mendeley Data AEIB_v1_0; SARAH; 10.1016/j.cpc.2010.11.030 AEIB_v2_0; SARAH; 10.1016/j.cpc.2013.02.019 AEIB_v2_1; SARAH; 10.1016/j.cpc.2013.06.021 AEIB_v3_0; SARAH; 10.1016/j.cpc.2014.02.018 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/p5nc63dhtf.1
title: Numerical solution of Kramers-Kronig transforms by a fourier method

description: Abstract Title of program: KRONIG Catalogue number: ACMN Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue). Computer: CDC CYBER 72-26; Installation: Computing Services Unit, University of New South Wales. Operating system: KRONOS. 2.1.1 LEVEL 393 Programming language used: FORTRAN High speed storage required: 31k_8No. of bits in a word: 60 Overlay structure: none No. of magnetic tapes required: none Other peripherals used: li... Title of program: KRONIG Catalogue number: ACMN Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue). Computer: CDC CYBER 72-26; Installation: Computing Services Unit, University of New South Wales. Operating system: KRONOS. 2.1.1 LEVEL 393 Programming language used: FORTRAN High speed storage required: 31k8 No. of bits in a word: 60 Overlay structure: none No. of magnetic tapes required: none Other p... Title of program: KRONIG Catalogue Id: ACMN_v1_0 Nature of problem The two magneto-optical phenomena, the Faraday rotation and magnetic circular dichroism compose, respectively the real and imaginary parts of the complex optical rotation. The Faraday rotation may then be calculated from the M.C.D. by use of the Kramers-Kronig integral relation. ADAPTATION SUMMARY: Vol:Year:Page 17:1979:393 "0001 TRAPZAL" "Adaptation: numerical solution of the Kramers-Kronig transforms by trapezoidal summation as compared to a Fourier method." S.J. Collocott; G.J. Tro ... Note: adaptation instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data ACMN_v1_0; KRONIG; 10.1016/0010-4655(77)90014-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/w4mc6dp3f7.1
title: A Wideband Fast Multipole Method for the two-dimensional complex Helmholtz equation

description: Abstract A Wideband Fast Multipole Method (FMM) for the 2D Helmholtz equation is presented. It can evaluate the interactions between N particles governed by the fundamental solution of 2D complex Helmholtz equation in a fast manner for a wide range of complex wave number k, which was not easy with the original FMM due to the instability of the diagonalized conversion operator. This paper includes the description of theoretical backgrounds, the FMM algorithm, software structures, and some test runs. Title of program: 2D-WFMM Catalogue Id: AEHI_v1_0 Nature of problem Evaluate interaction between N particles governed by the fundamental solution of 2D Helmholtz equation with complex k. Versions of this program held in the CPC repository in Mendeley Data AEHI_v1_0; 2D-WFMM; 10.1016/j.cpc.2010.09.010 AEHI_v2_0; 2D-WFMM; 10.1016/j.cpc.2011.09.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.5281/zenodo.3564295
title: IO Islamic 145. Khulâṣa-i- Ḥabîb-alsiyar, The biographies of eminent Shaikhs, Amîrs, 'Ulamas, and poets

description: IO Islamic 145. Khulâṣa-i- Ḥabîb-alsiyar, The biographies of eminent Shaikhs, Amîrs, ‘Ulamas, and poets
DOI: 10.5281/zenodo.3564296
title: IO Islamic 145. Khulâṣa-i- Ḥabîb-alsiyar, The biographies of eminent Shaikhs, Amîrs, 'Ulamas, and poets

description: IO Islamic 145. Khulâṣa-i- Ḥabîb-alsiyar, The biographies of eminent Shaikhs, Amîrs, ‘Ulamas, and poets
DOI: 10.17632/45j4rx5cv8.1
title: Revision of wFMM – A Wideband Fast Multipole Method for the two-dimensional complex Helmholtz equation

description: Abstract The Wideband Fast Multipole Method for the two-dimensional complex Helmholtz equation program is updated. The new version uses significantly less memory than the original version and uses almost constant memory for all the wavenumbers k when the number of particles is given. The CPU time is also improved slightly. Additionally, the memory leak problems and errors from external variables when it is used in an iterative solver are fixed. The new version wFMM and other useful codes are available... Title of program: 2D-WFMM Catalogue Id: AEHI_v2_0 Nature of problem Evaluate the interaction between N particles governed by the fundamental solution of 2D complex Helmholtz equation with wide range of wavenumber k. Versions of this program held in the CPC repository in Mendeley Data AEHI_v1_0; 2D-WFMM; 10.1016/j.cpc.2010.09.010 AEHI_v2_0; 2D-WFMM; 10.1016/j.cpc.2011.09.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/53nc9skjrn.1
title: IonRock: software for solving strain gradients of ion-implanted semiconductors by X-ray diffraction measurements and evolutionary programming

description: Abstract We present a program that uses an optimization algorithm to fit rocking curves of ion-implanted semiconductors. This is an inverse problem that cannot be solved by simple methods. However, using recursion formulae for rocking curve calculations and a model of ion distribution after implantation, it is possible to fit experimental data with a general-purpose optimization method. In our case, we use a modified version of the genetic algorithm, which has been shown to be a good technique for thi... Title of program: IonRock, version 1.0 Catalogue Id: ADTP_v1_0 Nature of problem Strain determination on ion implanted zinc-blend structure semiconductors Versions of this program held in the CPC repository in Mendeley Data ADTP_v1_0; IonRock, version 1.0; 10.1016/j.cpc.2004.02.015 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/5wvgtcmytx.1
title: Milne, a routine for the numerical solution of Milne's problem

description: Abstract The routine Milne provides accurate numerical values for the classical Milne's problem of neutron transport for the planar one speed and isotropic scattering case. The solution is based on the Case eigen-function formalism. The relevant X functions are evaluated accurately by the Double Exponential quadrature. The calculated quantities are the extrapolation distance and the scalar and the angular fluxes. Also, the H function needed in astrophysical calculations is evaluated as a byproduct. Title of program: Milne Catalogue Id: AEGS_v1_0 Nature of problem The X functions are integral expressions. The convergence of these regular and Cauchy Principal Value integrals are impaired by the singularities of the integrand in the complex plane. The DE quadrature scheme tackles these singularities in a robust manner compared to the standard Gauss quadrature. Versions of this program held in the CPC repository in Mendeley Data AEGS_v1_0; Milne; 10.1016/j.cpc.2010.07.023 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/7bzn8rw3f3.1
title: An integrated tool for loop calculations: aITALC

description: Abstract aITALC, a new tool for automating loop calculations in high energy physics, is described. The package creates Fortran code for two-fermion scattering processes automatically, starting from the generation and analysis of the Feynman graphs. We describe the modules of the tool, the intercommunication between them and illustrate its use with three examples. Title of program: aITALC version 1.2.1 Catalogue Id: ADWO_v1_0 Nature of problem Calculation of differential cross sections for e + e - annhilation in one-loop approximation. Versions of this program held in the CPC repository in Mendeley Data ADWO_v1_0; aITALC version 1.2.1; 10.1016/j.cpc.2005.09.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/9rjcy8ph5k.1
title: Fortnet (3L) vl.0: Implementation and extensions of a message- passing harness for transputers using 3L parallel Fortran

description: Abstract In previous work an occam-2 harness was developed which allowed parallel Fortran programs on a multicomputer to communicate using a simple message-passing subroutine library on a Meiko Computing Surface. The present work extends this harness to transputer arrays supporting the 3L Parallel Fortran, and further considers processor access of a shared filestore, and improvements to efficiency of communication. Destination buffering and direct access to the lowest-level 3L channels is found to be ... Title of program: FORTNET (3L) V1.0 Catalogue Id: ACHQ_v1_0 Nature of problem Parallel computers, such as transputer networks, with a high performance/cost ratio, are attractive for large scale computational tasks, such as Computational Fluid Dynamics. The large investment in sequential Fortran-77 code, in all branches of Science and Engineering, forces us to find an efficient means for porting existing codes to multiprocessors. Tools are limited: the Parallel Fortran v2.0 programming system for transputer networks has language extensions to facilitate message passing bet ... Versions of this program held in the CPC repository in Mendeley Data ACHQ_v1_0; FORTNET (3L) V1.0; 10.1016/0010-4655(92)90114-E This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)