Showing papers in "Computer Physics Communications in 2014"

TL;DR: FeynRules is a Mathematica-based package which addresses the implementation of particle physics models, which are given in the form of a list of fields, parameters and a Lagrangian, into high-energy physics tools.

TL;DR: This work presents PLUMED 2 here—a complete rewrite of the code in an object-oriented programming language (C++), which introduces greater flexibility and greater modularity, which both extends its core capabilities and makes it far easier to add new methods and CVs.

TL;DR: ShengBTE is a software package for computing the lattice thermal conductivity of crystalline bulk materials and nanowires with diffusive boundary conditions based on a full iterative solution to the Boltzmann transport equation.

TL;DR: An updated version of wannier90 is presented, wannIER90 2.0, including minor bug fixes and parallel (MPI) execution for band-structure interpolation and the calculation of properties such as density of states, Berry curvature and orbital magnetisation.

TL;DR: The program Top++ calculates the cross-section in (a) fixed order approach with exact next-to-next-to leading order (NNLO) accuracy and (b) by including soft-gluon resummation for the hadronic cross- section in Mellin space with full next- to-next -to-leading logarithmic (NNLL) accuracy.

TL;DR: The new version of the Mathematica package SARAH is presented which provides the same features for a non-supersymmetric model as previous versions for supersymmetric models, including an easy and straightforward definition of the model, the calculation of all vertices, mass matrices, tadpole equations, and self-energies.

TL;DR: This new version of micrOMEGAs is a major update which includes a generalization of the Boltzmann equations to accommodate models with asymmetric dark matter or with semi-annihilation and a first approach to a generalizations of the thermodynamics of the Universe in the relic density computation.

TL;DR: This code, a greatly improved version of the previous critic program, can find critical points of the electron density and related scalar fields such as the electron localization function, integrate atomic properties in the framework of Bader’s Atoms-in-Molecules theory (QTAIM), and generate relevant graphical representations.

TL;DR: APFEL is a new PDF evolution package that allows for the first time to perform DGLAP evolution up to NNLO in QCD and to LO in QED, in the variable-flavor-number scheme and with either pole or MS ¯ heavy quark masses.

TL;DR: The Flux Reconstruction (FR) approach unifies various high-order schemes for unstructured grids within a single framework, and is thus able to run efficiently on modern streaming architectures, such as Graphical Processing Units (GPUs).

TL;DR: The tensor computer algebra package xTras as mentioned in this paper provides functions and methods frequently needed when doing (classical) field theory, among others, it can compute contractions, make Ansatze and solve tensorial equations.

TL;DR: i-PI, an interface written in Python that has been designed to minimise the eort required to bring state-of-the-art path integral techniques to an electronic structure program, is described.

TL;DR: A new code to evaluate thermoelectric and electronic transport properties of extended systems with a maximally-localized Wannier function basis set is presented, solving the semiclassical Boltzmann transport equations for the homogeneous infinite system in the constant relaxation-time approximation.

TL;DR: A new set of PAW atomic data files for most of the stable elements in the periodic table are developed in a standard XML format for use in any PAW electronic structure code.

TL;DR: CheMPS2, the authors' free open-source spin-adapted implementation of DMRG for ab initio QC, has implemented the augmented Hessian Newton–Raphson complete active space self-consistent field method, with exact Hessian.

TL;DR: The public C++ library Ninja is presented, which implements the Integrand Reduction via Laurent Expansion method for the computation of one-loop integrals, which is suited for applications to complex one- loop processes.

TL;DR: The new version of the MNPBEM toolbox includes two additional classes for the simulation of electron energy loss spectroscopy (EELS) of plasmonic nanoparticles, and corrects a few minor bugs and inconsistencies.

TL;DR: A new major release of the program FIESTA (Feynman Integral Evaluation by a Sector decomposiTion Approach) with features like cluster-parallelization, new asymptotic expansion algorithms, calculations in physical regions, new sector-decomposition strategies, as well as multiple speed, memory, and stability improvements.

TL;DR: The DIRHB package consists of three Fortran computer codes for the calculation of the ground-state properties of even–even atomic nuclei using the framework of relativistic self-consistent mean-field models, enabling efficient and accurate calculations over the entire nuclide chart.

TL;DR: The nuclear mean-field model based on Skyrme forces or related density functionals has found widespread application to the description of nuclear ground states, collective vibrational excitations, and heavy-ion collisions.

TL;DR: A complete reimplementation of the well-established minority species code ASCOT is carried out as a response both to the increase in computing power during the last twenty years and to the weakly structured growth of the code, which has made implementation of additional models impractical.

TL;DR: The details of 3+1 dimensional relativistic hydrodynamic code for the simulations of quark–gluon/hadron matter expansion in ultra-relativistic heavy ion collisions are described and the ability to solve the equations of ideal hydrodynamics in the limit of zero viscosities is kept.

TL;DR: It can be observed that the auxiliary parameter ℏ, which controls the convergence of the HATM approximate series solutions, also can be used in predicting and calculating multiple solutions.

TL;DR: This paper serves as a manual to the NMSSM mode of the SOFTSUSY program, detailing the approximations and conventions used, and the renormalisation group equations are solved numerically between the weak scale and a high energy scale using a nested iterative algorithm.

TL;DR: OptaDOS, a program for calculating core-electron and low-loss electron energy loss spectra (EELS) and optical spectra along with total-, projected- and joint-density of electronic states (DOS) from single-particle eigenenergies and dipole transition coefficients is presented.

TL;DR: GPELab (Gross–Pitaevskii Equation Laboratory), an advanced easy-to-use and flexible Matlab toolbox for numerically simulating many complex physics situations related to Bose–Einstein condensation is presented.

TL;DR: A robust and general implementation of MCAs for molecular dynamics simulations in the highly scalable program NAMD built upon the parallel programming system Charm++ is reported.

TL;DR: The Density Profile Tool is a package that enhances the Visual Molecular Dynamics environment with the ability to interactively compute and visualize 1-D projections of various density functions of molecular models and is not a standalone program but a plug-in that enhances VMD’s analysis features.

TL;DR: An update of the Binoth Les Houches Accord (BLHA) to standardise the interface between Monte Carlo programs and codes providing one-loop matrix elements.

TL;DR: The program package NMSSMCALC is presented for the calculation of the loop-correctedNMSSM Higgs boson masses and decay widths in the CP-conserving and CP-violating NMSSM and the Higgs spectrum is calculated at oneloop accuracy.