cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/jhv6cr4pg2.1
title: Assembler RANLUX for PCs

description: Abstract A pseudorandom number generator that was proposed by Lüscher and coded in Fortran by James has been converted to Intel assembly language for PCs, with an increase in speed. Title of program: RANLUXASM Catalogue Id: ACPR_v3_0 [ADFO] Nature of problem Any Monte Carlo calculation or simulation. Versions of this program held in the CPC repository in Mendeley Data ACPR_v1_0; RANLUX; 10.1016/0010-4655(94)90233-X ACPR_v2_0; RANLUXI; 10.1016/S0010-4655(97)00002-7 ACPR_v3_0; RANLUXASM; 10.1016/S0010-4655(97)00017-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/v2xp4yjv2b.1
title: EMI, the counting efficiency for electron capture, electron capture-gamma and isomeric transitions

description: Abstract A program is presented that calculates the counting efficiency in liquid scintillation systems for electron capture nuclides coincident with gamma or isomeric transitions. Compton interaction probabilities are not negligible for KL or KM photons in nuclides with atomic numbers greater than 30. This program uses Monte Carlo simulations to calculate the Compton spectrum of these photons for the vial geometry. Title of program: EMI Catalogue Id: ACPU_v1_0 Nature of problem The standardization in liquid scintillation counting of electron-capture nuclides (EC), EC coincident and non-coincident with gamma transitions and single isomeric transitions (IC) requires the determination of the counting efficiency. A detailed analysis of the different atomic rearrangements that follow the EC and IC processes, permits one to compute the counting efficiency as a function of a free parameter. However, the interaction of the energetic gamma and X-ray photons with the scintillato ... Versions of this program held in the CPC repository in Mendeley Data ACPU_v1_0; EMI; 10.1016/0010-4655(94)90234-8 ACPU_v2_0; EMI2; 10.1016/S0010-4655(99)00263-5 ACPU_v3_0; MICELLE; 10.1016/j.cpc.2006.11.002 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/xwpmx25gz7.1
title: EXCALIBUR — a Monte Carlo program to evaluate all four-fermion processes at LEP 200 and beyond

description: Abstract A Monte Carlo program is presented that computes all four-fermion processes in e ^+ e ^- annihilation. QED initial state corrections and QCD contributions are included. Fermions are taken to be massless, allowing a very fast evaluation of the matrix element. A systematic, modular and self-optimizing strategy has been adopted for the Monte Carlo integration, which serves also as a... Title of program: EXCALIBUR Catalogue Id: ADAJ_v1_0 Nature of problem Heavy vector boson production will be investigated at e+e- colliders in a wide range of energies. At LEP II, the relevant process is <pre> e+e- -&gt; W+W- (1) At higher energies other processes like e+e- -&gt; Z Z, (2) e+e- -&gt; W e nu_e, (3) e+e- -&gt; Z e+e-, (4) e+e- -&gt; Z nu_e bar(nu)_e, (5)</pre> become important. The detected experimental signal for all above processes is a four fermion final state. Therefore, a Monte Carlo program being able to take into account both signal and background electroweak ... Versions of this program held in the CPC repository in Mendeley Data ADAJ_v1_0; EXCALIBUR; 10.1016/0010-4655(94)00138-R This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.5281/zenodo.3563523
title: Chlorocladiella gen. nov., a new genus of Pithophoraceae (Cladophorales, Chlorophyta), including four new species from various freshwater habitats in China

description: these three files descirbe 18S+28S rDNA alignments, 18S+28S+ITS rDNA alignments, and ITS2 secondary structure alignment respectively.
DOI: 10.17632/9r84hxpd2b.1
title: M.DynaMix – a scalable portable parallel MD simulation package for arbitrary molecular mixtures

description: Abstract A general purpose, scalable parallel molecular dynamics package for simulations of arbitrary mixtures of flexible or rigid molecules is presented. It allows use of most types of conventional molecular-mechanical force fields and contains a variety of auxiliary terms for inter- and intramolecular interactions, including an harmonic bond-stretchings. It can handle both isotropic or ordered systems. Besides an NVE^(MD)ensemble, the simulations can also be carried out in either NVT or NPT ense... Title of program: M.DynaMix Catalogue Id: ADLW_v1_0 Nature of problem Many-body problem with interacting particles. Structural, thermodynamical and dynamical properties of molecular liquids and liquid mixtures, including organic molecules or biomacromolecules as solutes. Versions of this program held in the CPC repository in Mendeley Data ADLW_v1_0; M.DynaMix; 10.1016/S0010-4655(99)00529-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/mvbg7kf3zd.1
title: Algorithm for the first order hydrostatic ellipticity of a planet

description: Title of program: HYDELP Catalogue Id: ACZT_v1_0 Nature of problem In geophysics the first order ellipticity of a planet is often required for a given model. In this new method the hydrostatic ellipticity of a planet can be calculated as a function of the mean radius. The input data needed are a set of values of the density of the planet as a function of the mean radius. The density model may have several jump discontinuities. Versions of this program held in the CPC repository in Mendeley Data ACZT_v1_0; HYDELP; 10.1016/0010-4655(80)90067-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/n84jm48ssm.1
title: High-order symplectic integration: an assessment

description: Abstract We report tests of some new symplectic integration routines of sixth and eighth order applied to the integration of classical trajectories for a triatomic model molecule. This system has mixed regular and chaotic phase space. Especially for long-lived trajectories, which are trapped in the stochastic layers of the phase space, the eighth-order integrators are very powerful. Among a great number of integrating routines tested by the authors they are the most efficient ones, i.e. they need the ... Title of program: testsymp Catalogue Id: ADLZ_v1_0 Nature of problem Numerical integration of Hamiltonian systems, mainly in classical mechanics. Versions of this program held in the CPC repository in Mendeley Data ADLZ_v1_0; testsymp; 10.1016/S0010-4655(00)00011-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/w4ds7fhdsx.1
title: I: A computer program for normalization and instrument correction of neutron diffraction data on non-crystalline materials to obtain the static structure factor

description: Title of program: FYINT Catalogue Id: ACYR_v1_0 Nature of problem The structure factor of non-crystalline materials may be obtained from neutron diffraction data. After correction for background two important problems remain, namely a proper instrumental correction and a normalization of the experimental data. With this program instrumental corrections for samples with a cylindrical symmetry are calculated, and the data are normalized in a systematic way providing the structure factor for the material. The instrumental corrections include corrections for atten ... Versions of this program held in the CPC repository in Mendeley Data ACYR_v1_0; FYINT; 10.1016/0010-4655(78)90069-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/wmd7rw7b2s.1
title: Fractional parentage coefficients for equivalent p shell and equivalent d shell electrons

description: Title of program: P SHELL C.F.P. Catalogue Id: ACQB_v1_0 Nature of problem The subroutine CFPP evaluates the Racah coefficient of fractional parentage for equivalent p shell electrons. Versions of this program held in the CPC repository in Mendeley Data ACQB_v1_0; P SHELL C.F.P.; 10.1016/0010-4655(69)90013-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/zcwy255w2d.1
title: A program for coupled-channel calculations with all order couplings for heavy-ion fusion reactions

description: Abstract A FORTRAN 77 program that calculates fusion cross sections and mean angular momenta of the compound nucleus under the influence of couplings between the relative motion and several nuclear collective motions is presented. The no-Coriolis approximation is employed to reduce the dimension of coupled-channel equations. The program takes into account the effects of nonlinear couplings to all orders, which have been shown to play an important role in heavy-ion fusion reactions at subbarrier energi... Title of program: CCFULL Catalogue Id: ADKM_v1_0 Nature of problem It has by now been well established that fusion reactions at energies near and below the Coulomb barrier are strongly influenced by couplings of the relative motion of the colliding nuclei to several nuclear intrinsic motions. Recently, precisely measured fusion cross sections have become available for several systems, and a distribution of the Coulomb barrier, which is originated from the channel couplings, have been extracted. It has been pointed out that the linear coupling approximation, whi ... Versions of this program held in the CPC repository in Mendeley Data ADKM_v1_0; CCFULL; 10.1016/S0010-4655(99)00243-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.26302/sshade/experiment_dt_20180710_001
title: Br K edge XAS of gallium bromide solution in hydrothermal conditions at 300bars and between 300 and 650K

description: Two concentrations: Ga3+ 0.17m, Br- 0.51m and Ga3+ 0.017m, Br- 0.051m; temperature varying from 300 to 650K
DOI: 10.17632/876n73ycvj.1
title: Pseudo differential operators and integrable systems in AXIOM

description: Abstract An implementation of the algebra of pseudo differential operators in the computer algebra system AXIOM is described. In several examples the application of the package to typical computations in the theory of integrable systems is demonstrated. Title of program: PDO Catalogue Id: ACPX_v1_0 Nature of problem Generation of integrable systems solvable by the Inverse Scattering Method and determination of conservation laws. Versions of this program held in the CPC repository in Mendeley Data ACPX_v1_0; PDO; 10.1016/0010-4655(94)90076-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/czsvkhct4y.1
title: A program for calculating photonic band structures and transmission coefficients of complex structures

description: Abstract We present here a program which will calculate either the photonic band structure or the transmission and reflection coefficients of photons incident on some complex metallic or dielectric structure. The method we use is to discretise the differential form of Maxwell's equations and arrange them such that we can apply the tried and trusted transfer matrix technique, often employed in condensed matter physics for calculating electronic properties of solids. The method is sufficiently general t... Title of program: PHOTON Catalogue Id: ADAG_v1_0 Nature of problem Fast calculation of dispersion relations and/or transmission/reflection coefficients for photons in complex metallic or dielectric structures. Versions of this program held in the CPC repository in Mendeley Data ADAG_v1_0; PHOTON; 10.1016/0010-4655(94)00131-K This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/dscjywcfh9.1
title: A program to generate numerical orbital functions

description: Title of program: NUMERICAL ORBITAL FUNCTIONS Catalogue Id: ACQS_v1_0 Nature of problem The program BASFUN solves the radial Schrodinger equation for any specified central potential and angular momentum, either at a given energy, or subject to a given R-matrix boundary condition. In both cases the solution can be made orthogonal to any number of specified functions. The eigenfunctions which are obtained in numerical form are required: (a) as continuum basis functions in an R-matrix calculation, (b) as Sturmian functions to be used in the calculation of atomic properties such as the ... Versions of this program held in the CPC repository in Mendeley Data ACQS_v1_0; NUMERICAL ORBITAL FUNCTIONS; 10.1016/0010-4655(70)90021-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/nw7bx2wwpk.1
title: Procedures for the evaluation of atomic transition matrix elements in the interaction with laser light

description: Abstract Analytical and numerical procedures for the calculation of atomic transition matrix elements in the interaction with linearly and circularly polarized laser light are presented. The laser—atom interaction is treated beyond the dipole approximation. The procedures are derived explicitly for hydrogen but may be readily generalized to other one-electron systems with, e.g., quantum defect type radial wavefunctions. The numerical procedure is programmed in Matlab and tested for main quantum number... Title of program: fnodipol Catalogue Id: ADKO_v1_0 Nature of problem Calculation of exact matrix elements between hydrogenic states perturbed by linearly or circularly polarized laser light. The different functions which are called by the main code, fnodipol, allows the evaluation of the radial hydrogen wavefunction and its derivative, spherical harmonics, the integral of a product of three spherical harmonics, 3-j symbols and Clebsch-Gordan coefficients. Versions of this program held in the CPC repository in Mendeley Data ADKO_v1_0; fnodipol; 10.1016/S0010-4655(99)00250-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/nscz6wddhn.1
title: Program to calculate elastic green's functions, displacement fields and interaction energies in cubic materials

description: Title of program: GFCUBE Catalogue Id: ACMS_v1_0 Nature of problem In linear elasticity theory a continuous medium is characterized by its Green's function. In the static case this Green's function can be calculated by a one dimensional integration. Also calculated are the first two derivatives yielding displacement fields and interaction energies of point defects. Versions of this program held in the CPC repository in Mendeley Data ACMS_v1_0; GFCUBE; 10.1016/0010-4655(83)90125-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/s5gvjy6h5t.1
title: Tomographic measurements of longitudinal phase space density

description: Abstract Tomography — the reconstruction of a two-dimensional image from a series of its one-dimensional projections — is now a very broad topic with a wealth of algorithms for the reconstructions of both qualitative and quantitative images. One of the simplest algorithms has been modified to take into account the nonlinearity of large-amplitude synchrotron motion in a particle accelerator. This permits the accurate reconstruction of longitudinal phase space density from one-dimensional bunch profile ... Title of program: tomo_v1 Catalogue Id: ADKE_v1_0 Nature of problem The reconstruction of the longitudinal phase space density of particles in a synchrotron from one-dimensional bunch profile data. Versions of this program held in the CPC repository in Mendeley Data ADKE_v1_0; tomo_v1; 10.1016/S0010-4655(99)00194-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/y9tdmr67vm.1
title: JetViP 2.1: the hbook version

description: Abstract We present an update of the JetViP 1.1 program for performing fixed NLO calculations in jet production including direct and resolved components in a continuous range of photon virtuality Q^2 . The new version allows to access the full event record on the parton level. The program is set up such that hbook can be used to fill histograms. The phase space generator has been optimized and the azimuthal dependence of the cross sections is taken into account in LO. We comment on recent comparisons ... Title of program: JetViP version 2.1 Catalogue Id: ADKC_v2_0 [ADMV] Nature of problem In eP- and egamma-scattering experiments, the hadronic final state can be analyzed by jet cluster algorithms, yielding inclusive single- and dijet cross sections. These can be obtained in a continuous range of photon virtuality. The cross sections allow the extraction of parameters, such as alphas, Alpha(MSbar) or parton densities (also of the virtual photon), if the respective jet cross sections are theoretically known. Versions of this program held in the CPC repository in Mendeley Data ADKC_v1_0; JetViP 1.1; 10.1016/S0010-4655(99)00190-3 ADKC_v2_0; JetViP version 2.1; 10.1016/S0010-4655(00)00158-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/23s3f72hmv.1
title: EMI2, the counting efficiency for electron capture by a KL 1 L 2 L 3 M model

description: Abstract The program EMI2 computes the liquid-scintillation counting efficiency for pure electron capture, single isomeric and electron capture-gamma nuclides. In this second version, the atomic rearrangement process subsequent to electron capture is described in terms of a more sophisticated KL_1 L_2 L_3 M model of 264 different pathways. The addition of Coster-Kronig transitions improves the accuracy of the method, especially for nuclides of low atomic numbers. A Monte Carlo method is applied to sim... Title of program: EMI2 Catalogue Id: ACPU_v2_0 [ADKR] Nature of problem The standardization of electron capture (EC) nuclides in liquid scintillation detectors is never 100 per cent efficient, depending on several factors such as ionization or chemical quench. A complete description of the EC process is not possible to achieve due to the large number of involved atomic rearrangement pathways. In the first version of the program EMI, an oversimplified KLM model of only 22 pathways was applied. However, a better accuracy in the standardizations, especially for nuclide ... Versions of this program held in the CPC repository in Mendeley Data ACPU_v1_0; EMI; 10.1016/0010-4655(94)90234-8 ACPU_v2_0; EMI2; 10.1016/S0010-4655(99)00263-5 ACPU_v3_0; MICELLE; 10.1016/j.cpc.2006.11.002 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/3m5z7r98kc.1
title: Application of the generalized backward substitution method to solve a class of linear systems

description: Title of program: APICS Catalogue Id: ACZJ_v1_0 Nature of problem General purpose subprogram solving linear systems corresponding to tridiagonal matrices in which the elements are replaced by submatrices. As an example, one can mention the discretized form (in time and space) of very general parabolic equations. A stable numerical scheme leads to such a system of linear equations. Versions of this program held in the CPC repository in Mendeley Data ACZJ_v1_0; APICS; 10.1016/0010-4655(79)90059-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/4ct56cxx8r.1
title: A new version of the program to compute the fractional parentage coefficients for equivalent d shell electrons

description: Title of program: A NEW D SHELL CFP Catalogue Id: ACQC_v2_0 [ACRN] Nature of problem This is a new version of the program by Allison (CPC 1(1969)15). The program has been changed to conform with ANSI Fortran and to use a Block Data Subprogram for the data. The changes are as follows: (1) The integer constant referring to the channel number in the WRITE statements in the directing program has been replaced by an integer variable which is transmitted to subprogram CFPD in the COMMON block INFORM. (2) Some non-standard Fortran statements have been replaced in the directing program. ... Versions of this program held in the CPC repository in Mendeley Data ACQC_v2_0; A NEW D SHELL CFP; 10.1016/0010-4655(73)90054-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/6rdy5xh7hd.1
title: JetViP 1.1: Calculating one- and two-jet cross sections with virtual photons in NLO QCD

description: Abstract JetViP is a computer program for the calculation of inclusive single- and dijet cross sections in eP- and eγ-scattering in NLO QCD. The virtuality of the photon, radiated by the incoming electron, can be chosen in a continuous range, reaching from photoproduction into deep inelastic scattering. The various contributions to the full jet cross section, including the resolved photon contributions, are implemented. The calculation is based on the phase-space-slicing method. ... Title of program: JetViP 1.1 Catalogue Id: ADKC_v1_0 Nature of problem In eP- and egamma-scattering experiments, the hadronic final state can be analysed by jet cluster algorithms, yielding inclusive single- and dijet cross sections. These can be obtained in a continuous range of photon virtuality. The cross sections allow the extraction of parameters, such as alphas, Lambda MS(bar) or parton densities (also of the virtual photon), if the respective jet cross sections are theoretically known. Versions of this program held in the CPC repository in Mendeley Data ADKC_v1_0; JetViP 1.1; 10.1016/S0010-4655(99)00190-3 ADKC_v2_0; JetViP version 2.1; 10.1016/S0010-4655(00)00158-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/dc9vkbfymc.1
title: Numerical modelling of a chemical plasma I. REACS: A program to generate all reactions which take place in a plasma of given chemical content

description: Title of program: REACS Catalogue Id: ACZD_v1_0 Nature of problem With the specific end in view to predicting the build up of secondary chemical species in the discharge tube of gas lasers, REACS is a program designed to generate all chemical reactions which could take place in such a plasma tube. These reactions provide input to a further code PLASKEM which solves the ordinary differential equations which describe the time rate of change of the chemical species. Options exist in REACS for the generation of reactions involving electrons and negative and/or pos ... Versions of this program held in the CPC repository in Mendeley Data ACZD_v1_0; REACS; 10.1016/0010-4655(79)90005-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/dtwpybx6d9.1
title: BARRIER code: Calculation of fission barriers

description: Abstract Average values of various nuclear properties are only explained on average by the liquid drop model ( where the average might be taken over particle number or, alternatively, over deformation). To reproduce other aspects of nuclear structure, such as ground state spins and energy spectra, it was found elsewhere that a different description is necessary. In this regard, we calculated single particle energies as function of the deformation parameters of an axially deformed Woods-Saxon potential... Title of program: BARRIER Catalogue Id: ADKF_v1_0 Nature of problem Average values of various nuclear properties are only explained on the average by liquid drop model (where the average might be taken over particle number or, alternatively, over deformation). To reproduce other aspects of nuclear structure, such as ground state spins and energy spectra, it was found elsewhere that a different description was necessary. In this regard, we calculated single particle energies as functions of the deformation parameters of an axially deformed Woods Saxon potential, ... Versions of this program held in the CPC repository in Mendeley Data ADKF_v1_0; BARRIER; 10.1016/S0010-4655(99)00199-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)