Showing papers in "Computer Physics Communications in 2004"

TL;DR: In this paper, a quasi-harmonic Debye model is used to generate the Debye temperature Θ(V), obtains the non-equilibrium Gibbs function G★(V;p,T), and minimizes G★ to derive the thermal equation of state (EOS) V(p, T) and the chemical potential G(p and T) of the corresponding phase.

TL;DR: JaxoDraw is a Feynman graph plotting tool written in Java that has a complete graphical user interface that allows all actions to be carried out via mouse click-and-drag operations in a WYSIWYG fashion.

TL;DR: The NUBEAM module as mentioned in this paper is a comprehensive computational model for Neutral Beam Injection (NBI) in tokamaks, which is used to compute power deposition, driven current, momentum transfer, fueling, and other profiles.

TL;DR: In this article, the authors propose a method to estimate and sum the relevant autocorrelation functions, which is argued to produce more certain error estimates than binning techniques and hence to help toward a better exploitation of expensive simulations.

TL;DR: aCLIMAX is the first user friendly program, within the Windows environment, that uses the output of normal modes to generate the calculated INS of the model molecule, making a lot easier to establish a connection between theory and experiment.

TL;DR: CPsuperH as discussed by the authors is a Fortran program that calculates the mass spectrum and decay widths of the neutral and charged Higgs bosons in the Minimal Supersymmetric Standard Model with explicit CP violation.

TL;DR: The DVR3D program suite as discussed by the authors calculates energy levels, wavefunctions, and where appropriate dipole transition moments, for rotating and vibrating triatomic molecules, using a Discrete Variable Representation (DVR) based on Gauss-Jacobi and Gauss−Laguerre quadrature for all 3 internal coordinates and thus yields a fully point-wise representation of the wave functions.

TL;DR: Easy Java Simulations, Ejs, a tool created by science teachers to help teach and learn science, allows users to create simulations using their knowledge of the scientific model.

TL;DR: The package PALP of C programs for calculations with lattice polytopes and applications to toric geometry, which is freely available on the internet, contains routines for vertex and facet enumeration, computation of incidences and symmetries, as well as completion of the set of lattice points in the convex hull of a given set of points.

TL;DR: In this article, the authors derived algebraic relations of alternating and non-alternating finite harmonic sums up to the sums of depth 6, and the corresponding counting relations for all classes of harmonic sums to arbitrary depth and tabulated up to depth d=10.

TL;DR: A new algorithm is presented to find exact traveling wave solutions of differential–difference equations in terms of tanh functions, which describes particle vibrations in lattices, currents in electrical networks, pulses in biological chains, etc.

TL;DR: A combination of Schwarz preconditioners combined with standard Krylov space solvers is shown to perform very well in the case of the Wilson–Dirac equation in lattice QCD.

TL;DR: A computer program for the simulation of Mie scattering in case of arbitrarily large size parameters, which will be useful not only for applications in astrophysics but also in other fields of science and industry (particle sizing, ecology control measurements, etc.)

TL;DR: An improved neighbor list algorithm is proposed to reduce unnecessary interatomic distance calculations in molecular simulations by using cell decomposition approach to accelerate the neighbor list construction speed, and data sorting method to lower the CPU data cache miss rate.

TL;DR: In this paper, 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.).

TL;DR: In this article, the problem of simulating single and multiphase flow in porous medium systems at the pore scale using the lattice Boltzmann (LB) method is examined.

TL;DR: The implementation of an implicit electromagnetic field solver in the particle-in-cell code Lsp is presented and this solver is adapted for use in dense plasma simulation through the direct implicit scheme.

TL;DR: In this article, a method to compute Euclidean meson two-point functions in lattice QCD is described and tested, where the contribution from the low-lying eigenmodes of the Dirac operator is averaged over all positions of the quark sources.

TL;DR: In this article, a Fortran program BCVEGPY is presented, which is an event generator for the hadronic production of the B-c meson through the dominant hard subprocess.

TL;DR: In this article, a program is presented to transform the atomic wave functions from jj-coupled multiconfiguration Dirac-Fock computations into a LS-Coupled representation.

TL;DR: A finite-volume, cell-centered (non-staggered) scheme for the extended MHD formulation that is suitable for implicit implementations in arbitrary curvilinear geometries, is conservative, preserves both the magnetic field and the electrical current solenoidal to machine precision, and is linearly and nonlinearly stable in the absence of numerical and physical dissipation.

TL;DR: FaCE is a self contained program that solves the three body Faddeev equations and enables the inclusion of excitation of one of the three bodies, whilst the other two remain inert, particularly useful for obtaining the binding energies and bound state structure compositions of light exotic nuclei treated as three-body systems.

TL;DR: A software package wkptest written in Maple is presented, which can carry out the traditional Painleve test for polynomial partial differential equations automatically and some truncated expansions are obtained whether an equation passes the test or not.

TL;DR: A variable time-step method using the particle fluxes conservation across the cell interface is implemented to reduce the number of simulated particles and the numberof iterations of transient period towards steady state, without sacrificing the solution accuracy.

TL;DR: In this article, the authors show that the same construction which applies to elastic solids may also work for viscous fluids provided that the constant parameter ϵ entering in the definition of the artificial stress is properly chosen.

TL;DR: A fundamental weakness of this new cryptosystem is pointed out that allows for three successful cryptanalytic attacks.

TL;DR: A new algorithm to automatically adapt the localization centers during the ground state computation which allows for molecular dynamics simulations with diffusion processes and leads to a genuine linear scaling First-Principles Molecular Dynamics method with controlled accuracy.

TL;DR: A general computational method for the accurate calculation of rotationally and vibrationally excited states of tetraatomic molecules is developed, particularly appropriate for molecules executing wide-amplitude motions and isomerizations.

TL;DR: Algorithms to implement fully dynamic and kinetic three-dimensional unconstrained Delaunay triangulations, where the time evolution of the triangulation is not only governed by moving vertices but also by a changing number of vertices are described.

TL;DR: In this paper, a class of methods for the evaluation of loop integrals based on extrapolation is presented, based on generating a sequence of approximations which converge to the loop integral value as a parameter e introduced in the integrand tends to zero.