Computer Physics Communications
Published on behalf of Elsevier
ISSN: 00104655
Datasets associated with articles published in Computer Physics Communications

A new method for improved global mapping forecast
The Maple package TimeS for time series analysis has a new feature and an improvement in forecasting by phase space reconstruction. An optional argument in the computational routines that allows the researcher to choose the different number of steps ahead to… 
SOSpin, a C++ library for Yukawa decomposition in SO(2N) models
We present in this paper the SOSpin library, which calculates an analytic decomposition of the Yukawa interactions invariant under any SO(2N) group in terms of an SU(N) basis. We make use of the oscillator expansion formalism, where the SO(2N) spinor are in of… 
MCMC2 (version 1.1.2): A Monte Carlo code for multiply charged clusters
This version of the MCMC2 program corrects several glitches of earlier versions and adapts the keyword environment of radial, angular, and evaporation histograms to remove some useless columns in the data files or simply prevent their creation, when desired.… 
An analytical benchmark and a Mathematica program for MD codes: Testing LAMMPS on the 2nd generation Brenner potential
An analytical benchmark and a simple consistent Mathematica program are proposed for graphene and carbon nanotubes, that may serve to test any molecular dynamics code implemented with REBO potentials. By exploiting the benchmark, we checked results produced by… 
New version of hexecs, the Bspline implementation of exterior complex scaling method for solution of electron–hydrogen scattering
We provide an updated version of the program hexecs originally presented in Comput. Phys. Commun. 185 (2014) 2903–2912. The original version used an iterative method preconditioned by the incomplete LU factorization (ILU), which–though very stable and a large… 
ATrack: A new approach for detection of moving objects in FITS images
We have developed a fast, opensource, crossplatform pipeline, called ATrack, for detecting the moving objects (asteroids and comets) in sequential telescope images in FITS format. The pipeline is coded in Python 3. The moving objects are detected using a We… 
Potential Optimization Software for Materials (POSMat)
The Potential Optimization Software for Materials package (POSMat) is presented. POSMat is a powerful tool for the optimization of classical empirical interatomic potentials for use in atomic scale simulations, of which molecular dynamics is the most of the to… 
QCDLoop: a comprehensive framework for oneloop scalar integrals
We present a new release of the QCDLoop library based on a modern objectoriented framework. We discuss the available new features such as the extension to the complex masses, the possibility to perform computations in double and quadruple precision and useful… 
openPSTD: the open source pseudospectral timedomain method for acoustic propagation
An open source implementation of the Fourier pseudospectral timedomain (PSTD) method for computing the propagation of sound is presented, which is geared towards applications in the built environment. Being a wavebased method, PSTD captures phenomena like in… 
A new version of code Java for 3D simulation of the CCA model
In this paper we present a new version of the program of CCA model. In order to benefit from the advantages involved in the latest technologies, we migrated the running environment from JDK1.6 to JDK1.7. And the old program was optimized into a new framework,… 
MPL  a program for computations with iterated integrals on moduli spaces of curves of genus zero
We introduce the Maple program MPL for computations with multiple polylogarithms. The program is based on homotopy invariant iterated integrals on moduli spaces $\mathcal{M}_{0,n}$ of curves of genus 0 with $n$ ordered marked points. It includes the symbol map… 
Version 3.0 of code Java for 3D simulation of the CCA model
In this paper we provide a new version of program for replacing the previous version. The frequency of traversing the clusterslist was reduced, and some code blocks were optimized properly; in addition, we appended and revised the comments of the source code… 
New Developments in FeynCalc 9.0
In this note we report on the new version of FeynCalc, a Mathematica package for symbolic semiautomatic evaluation of Feynman diagrams and algebraic expressions in quantum field theory. The main features of version 9.0 are: improved tensor reduction and of of… 
APINetworks Java. A Java approach to the efficient treatment of largescale complex networks
We present a new version of the core structural package of our Application Programming Interface, APINetworks, for the treatment of complex networks in arbitrary computational environments. The new version is written in Java and presents several advantages the… 
PyVCI: A flexible opensource code for calculating accurate molecular infrared spectra
The PyVCI program package is a general purpose opensource code for simulating accurate molecular spectra, based upon force field expansions of the potential energy surface in normal mode coordinates. It includes harmonic normal coordinate analysis and (VCI) a… 
Computeraided cluster expansion: An efficient algebraic approach for open quantum manyparticle systems
We introduce an equation of motion approach that allows for an approximate evaluation of the time evolution of a quantum system, where the algebraic work to derive the equations of motion is done by the computer. The introduced procedures offer a variety of of… 
DRoplet and hAdron Generator for Nuclear Collisions: an update
The Monte Carlo generator DRAGON simulates hadron production in ultrarelativistic nuclear collisions. The underlying theoretical description is provided by the blastwave model. DRAGON includes secondorder angular anisotropy in transverse shape and the of the… 
PHASEGO 3.0: Automatic analysis of synthesis and decomposition conditions for compounds
In this paper, we present a revised version of Phasego 2.0 toolkit which is a package for automatic phase diagram analysis and anharmonic effect corrections. In this new version, the automatic synthesis/decomposition conditions analysis functionality is added… 
An efficient and portable SIMD algorithm for charge/current deposition in ParticleInCell codes
In current computer architectures, data movement (from die to network) is by far the most energy consuming part of an algorithm (≈20pJ/word ondie to ≈10,000 pJ/word on the network). To increase memory locality at the hardware level and reduce energy related a… 
Parallel multiphase field simulations with OpenPhase
The opensource software project OpenPhase allows the threedimensional simulation of microstructural evolution using the multiphase field method. The core modules of OpenPhase and their implementation as well as their parallelization for a distributedmemory…