cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/2h36yyz7j4.1
title: PROION: A code for calculating ionisation threshold intensities and ionisation periods in high-intensity-laser irradiation plasmas

description: Title of program: PROION Catalogue Id: AARY_v1_0 Nature of problem The evaluation of ionisation threshold intensities (the minimum intensity at which ionisation will occur) and the ionisation period for irradiation of the test gas with intensities greater than the threshold intensities. Versions of this program held in the CPC repository in Mendeley Data AARY_v1_0; PROION; 10.1016/0010-4655(82)90008-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/4vjf735s6h.1
title: MatLab program for precision calibration of optical tweezers

description: Abstract Optical tweezers are used as force transducers in many types of experiments. The force they exert in a given experiment is known only after a calibration. Computer codes that calibrate optical tweezers with high precision and reliability in the (x,y)-plane orthogonal to the laser beam axis were written in MatLab (MathWorks Inc.) and are presented here. The calibration is based on the power spectrum of the Brownian motion of a dielectric bead trapped in the tweezers. Precision is achieved by a... Title of program: tweezercalib Catalogue Id: ADTV_v1_0 Nature of problem To calibrate optical tweezers with precision by fitting theory to experimental power spectrum of position of bead doing Brownian motion in incompressible fluid, possibly near microscope cover slip, while trapped in optical tweezers. Thereby determine spring constant of optical trap and conversion factor for arbitrary-units-to-nanometers for detection system. Versions of this program held in the CPC repository in Mendeley Data ADTV_v1_0; tweezercalib; 10.1016/j.cpc.2004.02.012 ADTV_v2_0; tweezercalib; 10.1016/j.cpc.2005.11.007 ADTV_v2_1; tweezercalib; 10.1016/j.cpc.2006.07.009 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/6f2h2bbk4s.1
title: A reduce package for exact Coulomb interaction matrix elements

description: Abstract Title of program: R12 interaction matrix elements Catalogue number: ABBN Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: IBM compatible PC/ Cray 1 M Operating system: MS DOS 3.x/ COS 1.15 Programming language used: Reduce 3.2 High speed storage required: 512 KB for PC/ 290 Kwords for Cray No. of bits in a word: 64 No. of lines in combined program and test deck: 500 Title of program: R12 INTERACTION MATRIX ELEMENTS Catalogue Id: ABBN_v1_0 Nature of problem With atomic physics and quantum chemistry numerous numerical computations and also recent theoretical investigations require the evaluation of the quantum mechanical expectation values for the Coulomb interaction 1/r12 or inverse interaction operator r12 = |r1 - r2|. For Slater-functions and hydrogenic wavefunctions such expectation values can in principle be determined exactly. This fact is used in a package of Reduce procedures which calculate the wanted matrix elements and other related quant ... Versions of this program held in the CPC repository in Mendeley Data ABBN_v1_0; R12 INTERACTION MATRIX ELEMENTS; 10.1016/0010-4655(88)90051-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/c65sfrpt39.1
title: SPheno, a program for calculating supersymmetric spectra, SUSY particle decays and SUSY particle production at e + e − colliders

description: Abstract SPheno is a program that accurately calculates the supersymmetric particle spectrum within a high scale theory, such as minimal supergravity, gauge mediated supersymmetry breaking, anomaly mediated supersymmetry breaking, or string effective field theories. An interface exists for an easy implementation of other models. The program solves the renormalization group equations numerically to two-loop order with user-specified boundary conditions. The complete one-loop formulas for the masses are... Title of program: SPheno Catalogue Id: ADRV_v1_0 Nature of problem The first issue is the determination of the masses and couplings of supersymmetric particles in the R-parity conserved MSSM. Low energy data on Standard Model fermion masses, gauge couplings and electroweak gauge boson masses serve as constraints. Radiative corrections from supersymmetric particles to these inputs must be calculated. Theoretical constraints on the soft SUSY breaking parameters from a high scale theory are imposed and the parameters at the electroweak scale are obtained from the ... Versions of this program held in the CPC repository in Mendeley Data ADRV_v1_0; SPheno; 10.1016/S0010-4655(03)00222-4 ADRV_v2_0; SPheno; 10.1016/j.cpc.2012.05.021 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/cg4ccvs2fb.1
title: Hauser-Feshbach nuclear scattering subroutine LIANA

description: Title of program: LIANA Catalogue Id: ABKA_v1_0 Nature of problem Subroutine LIANA computes the scattering angular distribution and integrated cross section for any two-particle nuclear reaction which proceeds through a statistical distribution of compound nucleus states. The subroutine may be incorporated into other programs or else run with the driver program provided. The latter calls subroutine SCAT to obtain the necessary optical model nuclear penetrabilities. The input required consists of the energies, charges, masses, spins, parities, and optical model ... Versions of this program held in the CPC repository in Mendeley Data ABKA_v1_0; LIANA; 10.1016/0010-4655(70)90004-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/hxwk3dks5g.1
title: A fast vectorized program for the cyber 205 to calculate the partition function of the 3-D Ising model

description: Abstract I describe a computer program that numerically estimates the density of states of the three-dimensional Ising model. The program runs at a speed of 110 million spin updates per second on a 2 pipe CDC Cyber 205 and 233 million updates per second on an ETA-10. Title of program: MICRO Catalogue Id: ABHR_v1_0 Nature of problem The density of states for each energy is estimated by finding the relative frequencies of each energy using a microcanonical approach. Versions of this program held in the CPC repository in Mendeley Data ABHR_v1_0; MICRO; 10.1016/0010-4655(89)90036-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/k4cs8k4xvt.1
title: Computation of relativistic symmetry orbitals for finite double point groups

description: Abstract A program is presented for the construction of relativistic symmetry-adapted molecular basis functions. It is applicable to 36 finite double point groups. The algorithm, based on the projection operator method, automatically generates linearly independent basis sets. Time reversal invariance is included in the program, leading to additional selection rules in the non-relativistic limit. Title of program: TSYM Catalogue Id: ABHW_v1_0 Nature of problem Relativistic symmetry-adapted basis functions are generated for molecules of 36 finite point symmetry groups. Time reversal is included as an additional symmetry operation. Versions of this program held in the CPC repository in Mendeley Data ABHW_v1_0; TSYM; 10.1016/0010-4655(89)90032-5 ABHW_v2_0; TSYM, version 2.0; 10.1016/0010-4655(96)00058-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/m63h48zmnm.1
title: GYutsis: heuristic based calculation of general recoupling coefficients

description: Abstract General angular momentum recoupling coefficients can be expressed as a summation formula over products of 6-j coefficients. Yutsis, Levinson and Vanagas developed graphical techniques for representing the general recoupling coefficient as a cubic graph and they describe a set of reduction rules allowing a stepwise generation of the corresponding summation formula. This paper is a follow up to [Van Dyck and Fack, Comput. Phys. Comm. 151 (2003) 353–368] where we described a heuristic algorithm ... Title of program: GYutsis: VAN DYCK, FACK Catalogue Id: ADRM_v2_0 [ADSA] Nature of problem A general recoupling coefficient for an arbitrary number of (integer or half-integer) angular momenta can be expressed as a formula consisting of products of 6-j coefficients summed over a certain number of variables . Such a formula can be generated using the program GYutsis (with a grap hical user front end ) or CycleCostAlgorithm (with a text-mode user fron t end). Versions of this program held in the CPC repository in Mendeley Data ADRM_v1_0; CycleCostAlgorithm, GYutsis; 10.1016/S0010-4655(02)00733-6 ADRM_v2_0; GYutsis: VAN DYCK, FACK; 10.1016/S0010-4655(03)00280-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/swskrhs6x6.1
title: GMIC++: Grouping method in C++: an efficient method to solve large number of Master equations

description: Abstract In typical nucleation, growth and coarsening problems in the study of defect/adatom accumulation in crystalline solids or surfaces, a large number of Master equations are involved to describe the evolution process. As examples, defect clusters nucleate and grow from point defects in solids when subjected to particle irradiation, and atoms depositing on a substrate form clusters leading to film growth. To efficiently solve the large number of master equations, the grouping method was used, whi... Title of program: GMIC++ Catalogue Id: ADRK_v1_0 Nature of problem A common approach to describe defect/adatom accumulation processes is by using a system of master equations. For a good description, the number of equations in the system is generally very large. As a result, their numerical solution is very time consuming. This problem is less serious at the early stage. However, as the process continues, the number of master equations increases and the numerical difficulty becomes severe. Versions of this program held in the CPC repository in Mendeley Data ADRK_v1_0; GMIC++; 10.1016/S0010-4655(02)00816-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/26k4v4rg92.1
title: Standard test cases for the BALDUR transport code

description: Abstract Fourteen standard test cases developed for the BALDUR code are described. Selected output is presented. Title of program: BALDUR Catalogue Id: ABBS_v1_0 Nature of problem The purpose of the version of the BALDUR code documented here is to calculate the evolution of plasma parameters in an MHD equilibrium which can be approximated by concentric circular flux surfaces. Transport of up to six species of ionized particles, of electron and ion energy, and of poloidal magnetic field is computed. A wide variety of source terms are calculated including those due to neutral gas, fusion and auxiliary heating. The code is primarily designed for modeling tokamak plasmas but ... Versions of this program held in the CPC repository in Mendeley Data ABBS_v1_0; BALDUR; 10.1016/0010-4655(88)90013-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/2d6jvn3tfd.1
title: PSsolver: A Maple implementation to solve first order ordinary differential equations with Liouvillian solutions

description: Abstract We present a set of software routines in Maple 14 for solving first order ordinary differential equations (FOODEs). The package implements the Prelle–Singer method in its original form together with its extension to include integrating factors in terms of elementary functions. The package also presents a theoretical extension to deal with all FOODEs presenting Liouvillian solutions. Applications to ODEs taken from standard references show that it solves ODEs which remain unsolved using Maple’... Title of program: PSsolver Catalogue Id: ADPR_v2_0 Nature of problem Symbolic solution of first order differential equations via the Prelle-Singer method. Versions of this program held in the CPC repository in Mendeley Data ADPR_v1_0; PSsolver; 10.1016/S0010-4655(01)00462-3 ADPR_v2_0; PSsolver; 10.1016/j.cpc.2012.04.012 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/2j7cfntd37.1
title: A program to calculate internal conversion coefficients for all atomic shells without screening

description: Title of program: INTERNAL CONVERSION COEFFICIENTS Catalogue Id: ABGF_v1_0 Nature of problem The program calculates internal conversion coefficients for all atomic subshells from K up to Q1. The formulas used are based on an analytical solution of the Dirac equation for electrons in the pure Coulomb field of a point nucleus. The finite-nuclear-size correction is included. The conversion coefficients computed with this program and corrected approximately for atomic screening were found to be in good agreement with experiment. The method is especially useful in cases in which no precise c ... Versions of this program held in the CPC repository in Mendeley Data ABGF_v1_0; INTERNAL CONVERSION COEFFICIENTS; 10.1016/0010-4655(71)90035-X This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/3xhdfn87t9.1
title: A flexible program for performing analytic differentiation and substitutions on a system of equations

description: Title of program: EQSYSTM Catalogue Id: AAQX_v1_0 Nature of problem This program is designed to operate on a system of equations, making user-specified substitutions and returning for each expression its partial derivatives with respect to a list of specified variables. The output expressions for the derivatives of each input expression, in the form of statements directly usable in other programs, are organized into an array with subscripts corresponding to the variables by which it was differentiated. Output in either PL/1, Fortran, or SAS syntax is available a ... Versions of this program held in the CPC repository in Mendeley Data AAQX_v1_0; EQSYSTM; 10.1016/0010-4655(81)90085-0 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/5ss9gjd8jf.1
title: micrOMEGAs4.1: Two dark matter candidates

description: Abstract micrOMEGAs is a code to compute dark matter observables in generic extensions of the standard model. This version of micrOMEGAs includes a generalization of the Boltzmann equations to take into account the possibility of two dark matter candidates. The modification of the relic density calculation to include interactions between the two dark matter sectors as well as semi-annihilation is presented. Both dark matter signals in direct and indirect detection are computed as well. An extension ... Title of program: MicrOMEGAs4.1 Catalogue Id: ADQR_v4_0 Nature of problem Calculation of the relic density and direct and indirect detection rates of the lightest stable particle in particle physics models with at most two stable dark matter candidates. Versions of this program held in the CPC repository in Mendeley Data ADQR_v1_0; micrOMEGAs; 10.1016/S0010-4655(02)00596-9 ADQR_v1_3; micrOMEGAs1.3; 10.1016/j.cpc.2005.12.005 ADQR_v2_0; micrOMEGAs2.0; 10.1016/j.cpc.2006.11.008 ADQR_v2_1; micrOMEGAs2.1; 10.1016/j.cpc.2007.08.002 ADQR_v2_2; micrOMEGAs2.2; 10.1016/j.cpc.2008.11.019 ADQR_v2_3; micrOMEGAs2.4; 10.1016/j.cpc.2010.11.033 ADQR_v3_0; micrOMEGAs3; 10.1016/j.cpc.2013.10.016 ADQR_v4_0; MicrOMEGAs4.1; 10.1016/j.cpc.2015.03.003 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/8jrxj4rghk.1
title: Taylor-Chirikov map package A package of programs for the calculation of ordered periodic orbits of area preserving twist maps

description: Title of program: TAYLOR-CHIRIKOV MAP PACKAGE Catalogue Id: ABBW_v1_0 Nature of problem The study of area preserving twist maps of the plane is important for many fields of physics including Hamiltonian dynamics, plasma confinement, particle accelerator design and condensed matter physics. This is a package of programs to facilitate the calculation of ordered periodic orbits of these maps, particularly in the presence of large nonlinearities. Versions of this program held in the CPC repository in Mendeley Data ABBW_v1_0; TAYLOR-CHIRIKOV MAP PACKAGE; 10.1016/0010-4655(88)90159-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/m3fc83rytv.1
title: Update of spherical Bessel transform: FFTW and OpenMP

description: Abstract We present an update of spherical Bessel transform subroutines. The update makes use of the widely available FFTW library for performing necessary fast Fourier transforms. Moreover, the update is prepared for shared memory OpenMP parallelization that is popular on multi-core processors. Furthermore, the updated version uses the module concept to achieve a better control over the memory allocation/deallocation, which also contributes to the performance of the updated package. Title of program: SBT, version number 3 Catalogue Id: AANZ_v3_0 Nature of problem The Fourier transform of a spherically symmetric angular momentum eigen-function leads to the spherical Bessel transform of the corresponding radial function. Radial functions are often given numerically, on a radial grid. Therefore, the direct computation of the spherical Bessel transform would require of order N arithmetical operations for each value of the transform variable, where N is the number of points on the radial grid. At large values of the transform variable, the rapid oscillation o ... Versions of this program held in the CPC repository in Mendeley Data AANZ_v1_0; LSFBTR; 10.1016/0010-4655(83)90126-1 AANZ_v2_0; NumSBT; 10.1016/j.cpc.2008.10.003 AANZ_v3_0; SBT, version number 3; 10.1016/j.cpc.2010.08.024 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/n3nbsy2yd7.1
title: SQSIMUL: A FORTRAN code for the computation of squeezing properties and photon statistics in multiphoton processes

description: Title of program: SQSIMUL Catalogue Id: AATE_v1_0 Nature of problem The program calculates time dependent diagonal and off-diagonal matrix elements for the reduced density operator of a single-mode radiation field undergoing multiphoton absorption or emission process by an irreversible Markovian interaction with two-level atomic media. By means of these distributions a complete analysis of quantum noise fluctuations as well as second and higher-order squeezing properties of the photon field may be realized for arbitrarily chosen coherent or squeezed input field. ... Versions of this program held in the CPC repository in Mendeley Data AATE_v1_0; SQSIMUL; 10.1016/0010-4655(87)90209-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/p2fdsxjbd4.1
title: Matrix elements of the reaction matrix in finite nuclei

description: Title of program: REACTION MATRIX Catalogue Id: ABIF_v1_0 Nature of problem Matrix elements of the raction matrix in finite nuclei are computed in the relative center-of-mass (RCM) harmonic-oscillator representation. A harmonic oscillator Pauli operator is employed together with purely kinetic particle states. The approach used follows that of Sauer. The Reid soft-core potential is employed in the code discussed. Versions of this program held in the CPC repository in Mendeley Data abif_v1_0; REACTION MATRIX; 10.1016/0010-4655(76)90043-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/sb2rzxs9bw.1
title: DIRIGE - a program for calculating eigenvalues and initial values of log derivative eigenfunctions for a diatomic molecule

description: Title of program: DIRIGE Catalogue Id: AATT_v1_0 Nature of problem The program presents a new treatment of the vibration-rotation eigenvalue problem for a diatomic molecule. Versions of this program held in the CPC repository in Mendeley Data AATT_v1_0; DIRIGE; 10.1016/0010-4655(87)90098-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
DOI: 10.17632/stnhs36bc5.1
title: Balanced binary tree code for scientific applications

description: Abstract A set of easy-to-use FORTRAN routines for building and accessing data structures of the type commonly encountered in scientific applications is introduced. Fetch and insert times go as ≻ [log (n)], where n is the number of elements in the list. The routines implement AVL or height-balanced binary tree logic. Each tree is a linear integer array. The first ten elements of a tree array specify its structure and the remaining elements are dedicated to node information. Each node includes key and ... Title of program: BBTREE Catalogue Id: ABJR_v1_0 Nature of problem Typical scientific programming applications require numerous calls to one or more subroutines. The intermediate results generated by these calls are usually not saved; if the same information is required at a later stage it is simply recalculated. While wasteful of cpu power, this modus operandi is attractive because it spares the user the time and effort associated with the development of complicated data storage and retrieval algorithms. However, if the number of redundant calls to a particula ... Versions of this program held in the CPC repository in Mendeley Data ABJR_v1_0; BBTREE; 10.1016/0010-4655(89)90076-3 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.17632/v9hr3ggzn6.1
title: A program to compute variationally optimized effective atomic potentials

description: Abstract A computer program to generate numerical effective local potentials for the electrons in atoms or ions is described. These potentials are variationally optimized; that is, the single-particle orbitals derived from them give the minimum value of the Hartree-Fock energy that can be obtained from a local central potential. The resulting potentials should be useful to generate realistic basis states for further atomic calculations. It can be shown [R.T. Sharp and G.K. Horton, Phys. Rev. 90 (1955)... Title of program: ATOMOPM Catalogue Id: ABHT_v1_0 Nature of problem The electrons in an atom can be regarded in an approximate way to be moving in a local potential that is determined by the nuclear charge and an average potential produced by all the electrons. This program calculates numerically the effective potential seen by the electrons in the atom using the variational principle. The resulting wave function is the best independent-particle wave function that can be constructed from a local, central potential, in the variational sense. Orbitals constructed ... Versions of this program held in the CPC repository in Mendeley Data ABHT_v1_0; ATOMOPM; 10.1016/0010-4655(89)90034-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)