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Showing papers in "Computer Physics Communications in 2001"


Journal ArticleDOI
TL;DR: The Mathematica package FeynArts as discussed by the authors is used for the generation and visualization of Feynman diagrams and amplitudes, with three levels, user-defined model files, and support for supersymmetric models.

1,796 citations


Journal ArticleDOI
TL;DR: Pythia version 6 represents a merger of the Pythia 5, Jetset 7 and SPythia programs, with many improvements as discussed by the authors, which can be used to generate high-energy physics events.

1,723 citations


Journal ArticleDOI
TL;DR: The Weighted Histogram Analysis Method (WHAM), is used to combine free energy perturbations with umbrella sampling calculations and yields the free energy associated with a given simulation as well as the probability distribution of the molecular system configurations by extracting the information contained in all the biased simulations in an optimal way.

829 citations


Journal ArticleDOI
TL;DR: In this article, a new method of local electric current density assignment in the Particle-in-Cell code in Cartesian geometry is presented, which is valid for an arbitrary quasi-particle form-factor assuming that the trajectory over time step is a straight line.

448 citations


Journal ArticleDOI
TL;DR: This paper concludes with a discussion of the inherent advantages of kernel estimation techniques and systematic errors associated with the estimation of parent distributions.

357 citations


Journal ArticleDOI
TL;DR: The computer program atompaw generates projector and basis functions which are needed for performing electronic structure calculations based on the Projector Augmented Wave (PAW) method and is applicable to materials throughout the periodic table.

318 citations


Journal ArticleDOI
TL;DR: This work presents a software architecture and framework that can be used to facilitate the development of data processing applications for High Energy Physics experiments that can withstand changes in requirements and technology over the long lifetimes of experiments.

314 citations


Journal ArticleDOI
TL;DR: A program package is described which can deal with one-, two- and three-loop vacuum integrals with one non-zero mass parameter and the principle structure is introduced and the main parts of the package are described in detail.

265 citations


Journal ArticleDOI
TL;DR: HepMC as discussed by the authors is an object-oriented event record written in C++ for high energy physics Monte Carlo event generators with many extensions from HEPEVT, including spin density matrices, flow patterns, random number generator states, and event weights.

261 citations


Journal ArticleDOI
TL;DR: ZFITTER as mentioned in this paper is a Fortran program based on a semi-analytical approach to fermion pair production in e+e− annihilation at a wide range of centre-of-mass energies, including the PETRA, TRISTAN, LEP1/SLC, and LEP2 energies.

251 citations


Journal ArticleDOI
TL;DR: In this paper, the general conditions under which the quadratic, uniform and monotonic convergence in the quasilinearization method of solving nonlinear ordinary differential equations could be proved are formulated and elaborated.

Journal ArticleDOI
TL;DR: In this paper, an algorithm for the numerical evaluation of harmonic polylogarithms of arbitrary real argument is presented, implemented into a FORTRAN subroutine hplog.

Journal ArticleDOI
TL;DR: In this paper, the beam tracing technique is used to describe the propagation and absorption of Gaussian wave beams with frequencies in the electron-cyclotron frequency range in a fusion plasma.

Journal ArticleDOI
TL;DR: Any other tool subsequently adopted to represent in more detail the interaction structure, from correlation coefficients to Principal Component Analysis to Bayesian networks to tree-structured density estimation, confirms the general features identified by GSA.

Journal ArticleDOI
TL;DR: In this paper, the authors describe the implementation of analytical Hartree-Fock gradients for periodic systems in the code CRYSTAL, emphasizing the technical aspects of this task.

Journal ArticleDOI
TL;DR: In this article, a hybrid simulation approach is developed to study chemical reactions coupled with long-range mechanical phenomena in materials, which is implemented on parallel computers using both task and spatial decompositions.

Journal ArticleDOI
TL;DR: DIM provides a named space for processes to publish information and a very simple API for processes willing to use this information and fully handles error recovery at the Publisher and Subscriber level, without additional software in the application.

Journal ArticleDOI
Yi-Tian Gao1, Bo Tian1
TL;DR: Based on computerized symbolic computation, a generalized hyperbolic function method and its algorithm are proposed for the nonlinear equations of mathematical physics in this paper, which could be widely applicable, including (a) the non-traveling solitonic features, (b) the multi-hyperbolic functions, and (c) the coefficient functions.

Journal ArticleDOI
TL;DR: Ludwig as discussed by the authors is a versatile code for the simulation of Lattice Boltzmann (LB) models in 3D on cubic lattices, which is not a single code, but a set of codes that share certain common routines, such as I/O and communications.

Journal ArticleDOI
TL;DR: A phase-space generation algorithm, capable to efficiently integrate the squared amplitude of any scattering process, is presented, implemented in a Monte Carlo program, PHEGAS, which, using HELAC, a helicity amplitude computational package, can be used for automatic cross-section computation and event generation.

Journal ArticleDOI
TL;DR: A modified version of the chaotic cryptographic method based on iterating a logistic map that shows that the distribution of the ciphertext is flatter and the encryption time is shorter and the trade-off between the spread of the distribution and theryption time can be controlled by a single parameter.

Journal ArticleDOI
TL;DR: The Fortran package allows researchers and students in a simple and inexpensive way to become familiar with protein simulation techniques, and is especially suitable for lecturers teaching molecular simulation.

Journal ArticleDOI
TL;DR: Scalability tests of these algorithms for density-functional-theory based electronic-structure calculations show that the linear-scaling DFT algorithm is highly scalable.

Journal ArticleDOI
TL;DR: The finite-element (FE) method combines the significant advantages of both real-space-grid and basis-oriented approaches and so promises to be particularly well suited for large, accurate ab initio calculations.

Journal ArticleDOI
TL;DR: In this article, the authors apply implicit numerical methods to solve the Cahn-Hilliard equation for confined systems, where the boundary conditions for hard walls are derived from physical principles.

Journal ArticleDOI
TL;DR: In this paper, the sensitivity of DFT molecular properties to the radial and angular numerical integration grid meshes, as well as to the partitioning scheme, is discussed for a number of molecules using the Gaussian 98 program system.

Journal ArticleDOI
TL;DR: The pwpaw code as mentioned in this paper is a plane wave implementation of the Projector Augmented Wave (PAW) method developed by Blochl for electronic structure calculations within the framework of density functional theory.

Journal ArticleDOI
TL;DR: The version 1.51 of the Monte Carlo program KoralW for all e + e − e −! f1 ¯ f2f3 ¯ f4 processes is presented in this paper.

Journal ArticleDOI
TL;DR: The TensErLEED package as discussed by the authors provides an efficient computer code for the fast computation of LEED intensity spectra from virtually any periodic surface, using standard methods such as the muffin-tin approach and the layer stacking method.

Journal ArticleDOI
TL;DR: In this article, the Tikhonov regularization is generalized to nonlinear inverse problems, denoted as nonlinear regularization method and implemented in the program NLREG (J. Weese, Comput. Phys. Commun. 77 (1993) 429), based on the prior information that the solution is smooth.