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Showing papers in "Computer Physics Communications in 2010"


Journal ArticleDOI
TL;DR: An overview of NWChem is provided focusing primarily on the core theoretical modules provided by the code and their parallel performance, as well as Scalable parallel implementations and modular software design enable efficient utilization of current computational architectures.

4,666 citations


Journal ArticleDOI
TL;DR: This paper describes Meep, a popular free implementation of the finite-difference time-domain (FDTD) method for simulating electromagnetism, and focuses on aspects of implementing a full-featured FDTD package that go beyond standard textbook descriptions of the algorithm.

2,489 citations


Journal ArticleDOI
TL;DR: Existing and new practices for sensitivity analysis of model output are compared and recommendations on which to use are offered to help practitioners choose which techniques to use.

2,265 citations


Journal ArticleDOI
TL;DR: HiggsBounds is a computer code that tests theoretical predictions of models with arbitrary Higgs sectors against the exclusion bounds obtained from the Higgs searches at LEP and the Tevatron, and investigates whether the considered parameter point is excluded at the 95% C.L. on topological cross sections.

803 citations


Journal ArticleDOI
TL;DR: With the new version of SARAH it is possible to calculate automatically all interactions for the different eigenstates and write model files for FeynArts and CompHep/CalcHep.

429 citations


Journal ArticleDOI
TL;DR: A new mixed precision approach for Krylov solvers using reliable updates is developed which allows for full double precision accuracy while using only single or half precision arithmetic for the bulk of the computation.

422 citations


Journal ArticleDOI
C. Studerus1
TL;DR: Reduze is a computer program for reducing Feynman Integrals to master integrals employing a Laporta algorithm and offers the possibility to run reductions in parallel.

418 citations


Journal ArticleDOI
TL;DR: A novel system of equations has been defined which contains diffusive terms in both the continuity and energy equations and, at the leading order, coincides with a standard weakly-compressible SPH scheme with artificial viscosity, showing to be robust, efficient and accurate.

413 citations


Journal ArticleDOI
TL;DR: The public C++ code 2HDMC is described which can be used to perform calculations in a general, CP-conserving, two-Higgs-doublet model (2HDM).

394 citations


Journal ArticleDOI
TL;DR: The “pushdown” mechanism, whereby the ornate enumeration of primitive MZVs, by weight and depth, is reconciled with the far simpler enumerations of primitive Euler sums is elucidated.

376 citations


Journal ArticleDOI
TL;DR: An implementation of an interface between the full-potential linearized augmented plane wave package Wien2k and the wannier90 code for the construction of maximally localized Wannier functions is presented.

Journal ArticleDOI
TL;DR: EPW combines the Kohn–Sham electronic eigenstates and the vibrational eigenmodes provided by the Quantum ESPRESSO package with the maximally localized Wannier functions provided byThe wannier90 package in order to generate electron–phonon matrix elements on arbitrarily dense Brillouin zone grids using a generalized Fourier interpolation.

Journal ArticleDOI
TL;DR: The ElAM (Elastic Anisotropy Measures) code carries out the required tensorial operations and creates 3D models of an elastic property's anisotography, and can also produce 2D cuts in any given plane and query a database of elastic constants to support meta-analyses.

Journal ArticleDOI
TL;DR: TFORM is presented, the version of the symbolic manipulation system FORM that can make simultaneous use of several processors in a shared memory architecture that uses Posix threads, also called pthreads, and is therefore easily portable between various operating systems.

Journal ArticleDOI
TL;DR: A collocation method for solving some well-known classes of Lane–Emden type equations which are nonlinear ordinary differential equations on the semi-infinite domain based on a Hermite function collocation (HFC) method is proposed.

Journal ArticleDOI
TL;DR: This work determines the strangeness contributions to the nucleon, 〈N|s¯s|N〉 and to the spin of theucleon, Δs.

Journal ArticleDOI
TL;DR: Some new applications of the complete discrimination system for polynomial are given, that is, the classifications of traveling wave solutions to some nonlinear differential equations through solving the corresponding integrals on Fan's expansion method.

Journal ArticleDOI
TL;DR: The meshless local radial point interpolation method (LRPIM) is adopted to simulate the two-dimensional nonlinear sine-Gordon (S-G) equation and a simple predictor–corrector scheme is performed to eliminate the nonlinearity.

Journal ArticleDOI
TL;DR: An algorithm incorporating the ideas of abstract “distance” between structures is developed, which improves the performance of the evolutionary algorithm USPEX, in terms of efficiency and reliability, for large and complex systems.

Journal ArticleDOI
TL;DR: Tsinghua Univ, Beijing Natl Ctr Electron Microscopy, Dept Mat Sci & Engn, Beijing 100084, Peoples R China.


Journal ArticleDOI
TL;DR: This method improves the accuracy of split-step finite difference method by introducing a compact scheme for discretization of space variable while this improvement does not reduce the stability range and does not increase the computational cost.

Journal ArticleDOI
TL;DR: SuperIso Relic is an extension of the SuperIso program which adds to the flavor observables of SuperI so the computation of all possible annihilation and coannihilation processes of the LSP which are required for the relic density calculation.

Journal ArticleDOI
TL;DR: It is shown that there is a link between global sensitivity indices and the new derivative based measure and it is proved that small values of derivative based measures implysmall values of total sensitivity indices.

Journal ArticleDOI
TL;DR: A Fortran 77 program that calculates important leptonic and semi-leptonic low-energy observables in the general R-parity conserving MSSM in the exact sfermion mass eigenbasis, without resorting to mass insertion approximations.

Journal ArticleDOI
TL;DR: The main aim of this paper is to compare the performance of the homotopy perturbation method with extended Adomian decomposition method and shooting method, and find that it yields relatively more accurate results with rapid convergence than other methods.

Journal ArticleDOI
TL;DR: Numerical experiments accompanied demonstrates that the ERKN methods are more efficient than the existing methods for the computation of oscillatory systems and show the energy conservation in the numerical experiments for problems with Hamiltonian H ( p, q ) in comparison with the well-known methods in the scientific literature.

Journal ArticleDOI
TL;DR: How to accelerate this kind of numerical calculations with popular NVIDIA Graphics Processing Units using the CUDA programming environment is presented, bringing stochastic simulation to a completely new level and opening for research a whole new range of problems which can now be solved interactively.

Journal ArticleDOI
TL;DR: This work extends the implementation of the checkerboard algorithm for the two-dimensional Ising model and is able to accelerate simulations on a single GPU by factors up to 35 compared to an optimized single Central Processor Unit (CPU) core implementation which employs multi-spin coding.

Journal ArticleDOI
TL;DR: To avoid solving the nonlinear system, a predictor–corrector scheme is proposed and the Not-a-Knot method is used to improve the accuracy in the boundary and to confirm the accuracy and efficiency of the new scheme.